6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

CAS: 67287-53-0

Formula: C19H22ClNO3

SMILES: COC1=CC=C(C=C1)C1CNCCC2=C1C=C(OC)C(OC)=C2Cl

IUPAC: 6-chloro-7,8-dimethoxy-1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

InChI: InChI=1/C19H22ClNO3/c1-22-13-6-4-12(5-7-13)16-11-21-9-8-14-15(16)10-17(23-2)19(24-3)18(14)20/h4-7,10,16,21H,8-9,11H2,1-3H3

Composition: C (65.61%), H (6.38%), Cl (10.19%), N (4.03%), O (13.80%)

Molar Mass: 347.84

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	347.1288213
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MYTZRTXHMVXREA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.13
Topological Polar Surface Area	39.72
Polarizability	37.37
Ring Count	3
Rotatable Bond Count	4

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