4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline

C19H22BrN — CID 43758826

IUPAC4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1cc(Br)ccc1NC1CCCCC1c1ccccc1
InChIInChI=1S/C19H22BrN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3
InChIKeyDPGRPMMMYHWXRS-UHFFFAOYSA-N
MW344.30 g/mol
LogP5.90
Rot. Bonds3

About 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline

4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline (PubChem CID 43758826) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
PubChem CID43758826
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1cc(Br)ccc1NC1CCCCC1c1ccccc1
InChIInChI=1S/C19H22BrN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3
InChIKeyDPGRPMMMYHWXRS-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
4-bromo-2-methyl-N-(4-phenylcyclohexyl)aniline
CID 29032557
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline (CID 43758826) is 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline is Cc1cc(Br)ccc1NC1CCCCC1c1ccccc1.
What is the InChIKey of 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline?
The InChIKey is DPGRPMMMYHWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-14-13-16(20)11-12-18(14)21-19-10-6-5-9-17(19)15-7-3-2-4-8-15/h2-4,7-8,11-13,17,19,21H,5-6,9-10H2,1H3.
What are the key properties of 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline?
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline has a molecular weight of 344.30 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43758826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).