6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine

C18H22BrN — CID 81260243

IUPAC6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
SMILESCC1CCCC(Nc2ccc3cc(Br)ccc3c2)C1C
InChIInChI=1S/C18H22BrN/c1-12-4-3-5-18(13(12)2)20-17-9-7-14-10-16(19)8-6-15(14)11-17/h6-13,18,20H,3-5H2,1-2H3
InChIKeyNEQIQVOFPCFZTQ-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.84
Rot. Bonds2

About 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine

6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine (PubChem CID 81260243) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
PubChem CID81260243
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
SMILESCC1CCCC(Nc2ccc3cc(Br)ccc3c2)C1C
InChIInChI=1S/C18H22BrN/c1-12-4-3-5-18(13(12)2)20-17-9-7-14-10-16(19)8-6-15(14)11-17/h6-13,18,20H,3-5H2,1-2H3
InChIKeyNEQIQVOFPCFZTQ-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
6-bromo-N-cyclobutylnaphthalen-2-amine
CID 81260482
N-(2,3-dimethylcyclohexyl)-1H-indol-5-amine
CID 64775773
N-(2,3-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776370
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
3-bromo-N-(2,3-dimethylcyclohexyl)-4-nitroaniline
CID 82862272
5-bromo-N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 65341865
4-bromo-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-nitroaniline
CID 29030722
6-[(2,3-dimethylcyclohexyl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 64761439
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
CID 64774712
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine?
The IUPAC name of 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine (CID 81260243) is 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine is CC1CCCC(Nc2ccc3cc(Br)ccc3c2)C1C.
What is the InChIKey of 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine?
The InChIKey is NEQIQVOFPCFZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-12-4-3-5-18(13(12)2)20-17-9-7-14-10-16(19)8-6-15(14)11-17/h6-13,18,20H,3-5H2,1-2H3.
What are the key properties of 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine?
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine has a molecular weight of 332.29 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine is sourced from PubChem (CID 81260243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).