C1CCN(C1)CCOC2=CC=C(C=C2)Br
CAS: 1081-73-8
Name: 1-[2-(4-bromophenoxy)ethyl]pyrrolidine
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)Br

Molecular Processing

Molecular formula
C12H16BrNO
Molecular weight
270.17
Exact mass
269.0415
XLogP
2.92
TPSA
12.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.31

Supplementary Information

InChIKey: YDWKSSWZGXRQET-UHFFFAOYSA-N
Synonyme
1081-73-81-(2-(4-bromophenoxy)ethyl)pyrrolidine1-[2-(4-Bromophenoxy)ethyl]pyrrolidineN-(2-(p-Bromophenoxy)ethyl)pyrrolidineEINECS 214-100-9YDWKSSWZGXRQET-UHFFFAOYSA-DTXSID70148408RefChem:824845DTXCID2070899214-100-9InChI=1/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2n-[2-(4-bromophenoxy)ethyl]pyrrolidine4-[2-Pyrrolidinoethoxy]phenyl bromideMFCD00003180Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]-1-[2-(4-bromophenoxy)ethyl]-pyrrolidine4-[2-N,N-Pyrrolidinoethoxy]phenyl bromide1-bromo-4-(2-pyrrolidinylethoxy)benzene1-(2-(4-bromophenoxyl)ethyl)pyrrolidine1-[2-(4-bromophenoxyl)ethyl]pyrrolidineCBMicro_0219301-[2-(4-bromo-phenoxy)-ethyl]-pyrrolidineOprea1_609515SCHEMBL229697SCHEMBL21054227CHEBI:151118CCG-9149SBB057753AKOS005166878AB00296
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