2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine hydrobromide

2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine hydrobromide

CAS: 1609404-37-6

Formula: C14H21BrN2O2

SMILES: Br.CC1CCCCC1NCC1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 2-methyl-N-[(3-nitrophenyl)methyl]cyclohexan-1-amine hydrobromide

InChI: InChI=1/C14H20N2O2.BrH/c1-11-5-2-3-8-14(11)15-10-12-6-4-7-13(9-12)16(17)18;/h4,6-7,9,11,14-15H,2-3,5,8,10H2,1H3;1H

Composition: C (51.07%), H (6.43%), Br (24.27%), N (8.51%), O (9.72%)

Molar Mass: 329.238

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	328.078641
Formal Charge	0
FSP3	0.57
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MNRMJJYARFLSOZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.11
Topological Polar Surface Area	55.17
Polarizability	27.71
Ring Count	2
Rotatable Bond Count	4

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