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

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

CAS: 1609406-90-7

Formula: C17H23BrN2O2

SMILES: Br.[O-][N+](=O)C1=CC(CNC23CC4CC(CC(C4)C2)C3)=CC=C1

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

InChI: InChI=1S/C17H22N2O2.BrH/c20-19(21)16-3-1-2-12(7-16)11-18-17-8-13-4-14(9-17)6-15(5-13)10-17;/h1-3,7,13-15,18H,4-6,8-11H2;1H

Composition: C (55.59%), H (6.31%), Br (21.76%), N (7.63%), O (8.71%)

Molar Mass: 367.287

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	366.094291
Formal Charge	0
FSP3	0.65
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MDPVZRHZDCKTPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.24
Topological Polar Surface Area	55.17
Polarizability	31.78
Ring Count	4
Rotatable Bond Count	4

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