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

C18H20BrN — CID 43762754

IUPAC4-bromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H20BrN/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2
InChIKeyYIPUPOWDBFEWCS-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.59
Rot. Bonds3

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

4-bromo-N-(2-phenylcyclohexyl)aniline (PubChem CID 43762754) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2-phenylcyclohexyl)aniline
PubChem CID43762754
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name4-bromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2c2ccccc2)cc1
InChIInChI=1S/C18H20BrN/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2
InChIKeyYIPUPOWDBFEWCS-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.27
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
2-N-(4-bromophenyl)-1-N,1-N-dimethylcycloheptane-1,2-diamine
CID 20556386
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 4-bromo-N-(2-phenylcyclohexyl)aniline (CID 43762754) is 4-bromo-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-N-(2-phenylcyclohexyl)aniline is Brc1ccc(NC2CCCCC2c2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-(2-phenylcyclohexyl)aniline?
The InChIKey is YIPUPOWDBFEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18,20H,4-5,8-9H2.
What are the key properties of 4-bromo-N-(2-phenylcyclohexyl)aniline?
4-bromo-N-(2-phenylcyclohexyl)aniline has a molecular weight of 330.27 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43762754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).