N-[(3-bromo-4-methoxyphenyl)methyl]cyclohexanamine hydrobromide

N-[(3-bromo-4-methoxyphenyl)methyl]cyclohexanamine hydrobromide

CAS: 1609406-65-6

Formula: C14H21Br2NO

SMILES: Br.COC1=C(Br)C=C(CNC2CCCCC2)C=C1

IUPAC: N-[(3-bromo-4-methoxyphenyl)methyl]cyclohexanamine hydrobromide

InChI: InChI=1S/C14H20BrNO.BrH/c1-17-14-8-7-11(9-13(14)15)10-16-12-5-3-2-4-6-12;/h7-9,12,16H,2-6,10H2,1H3;1H

Composition: C (44.35%), H (5.58%), Br (42.15%), N (3.69%), O (4.22%)

Molar Mass: 379.136

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	376.99899
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IQQFJQHMANFYAW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.41
Topological Polar Surface Area	21.26
Polarizability	29.24
Ring Count	2
Rotatable Bond Count	4

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