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1-[3-(azepan-1-ylmethyl)phenyl]methanamine

1-[3-(azepan-1-ylmethyl)phenyl]methanamine

CAS: 876716-70-0

Formula: C14H22N2

SMILES: NCC1=CC(CN2CCCCCC2)=CC=C1

IUPAC: 1-{3-[(azepan-1-yl)methyl]phenyl}methanamine

InChI: InChI=1S/C14H22N2/c15-11-13-6-5-7-14(10-13)12-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-12,15H2

Composition: C (77.01%), H (10.16%), N (12.83%)

Molar Mass: 218.344

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.178298716
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SUTMDIQABALFGJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.82
Topological Polar Surface Area 29.26
Polarizability 27.44
Ring Count 2
Rotatable Bond Count 3

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