CC(C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)N
Name: 1-(1,4-dioxaspiro[4.5]decan-8-yl)-1-phenylethanamine
SMILES: CC(C1CCC2(CC1)OCCO2)(C3=CC=CC=C3)N

Molecular Processing

Molecular formula
C16H23NO2
Molecular weight
261.37
Exact mass
261.1729
XLogP
2.79
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
74.57

Supplementary Information

InChIKey: XVBNOBMECBXKEI-UHFFFAOYSA-N
Synonyms
SCHEMBL1558474XVBNOBMECBXKEI-UHFFFAOYSA-N1-(1,4-Dioxa-spiro[4.5]dec-8-yl)-1-phenyl-ethylamine
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Involved in 4 reactions→

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