C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCOCC3)CN
Name: [4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
SMILES: C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCOCC3)CN

Molecular Processing

Molecular formula
C19H30N2O2
Molecular weight
318.46
Exact mass
318.2307
XLogP
2.56
TPSA
47.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
93.01

Supplementary Information

InChIKey: JIGYQYPDFHZOAO-UHFFFAOYSA-N
Synonyme
(4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine{4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamineSCHEMBL3271972JIGYQYPDFHZOAO-UHFFFAOYSA-N
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