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7-(benzyloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

7-(benzyloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

CAS: 1416372-08-1

Formula: C17H19NO

SMILES: C(OC1=CC2=C(NCCCC2)C=C1)C1=CC=CC=C1

IUPAC: 7-(benzyloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

InChI: InChI=1S/C17H19NO/c1-2-6-14(7-3-1)13-19-16-9-10-17-15(12-16)8-4-5-11-18-17/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2

Composition: C (80.60%), H (7.56%), N (5.53%), O (6.32%)

Molar Mass: 253.345

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.146664236
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WFVIROBPMUDMMG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.84
Topological Polar Surface Area 21.26
Polarizability 30.17
Ring Count 3
Rotatable Bond Count 3

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