2,4-dibromo-N-(2-phenylcyclohexyl)aniline

C18H19Br2N — CID 63427209

IUPAC2,4-dibromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2c2ccccc2)c(Br)c1
InChIInChI=1S/C18H19Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,17,21H,4-5,8-9H2
InChIKeyPWXHXNGUXZCACR-UHFFFAOYSA-N
MW409.17 g/mol
LogP6.35
Rot. Bonds3

About 2,4-dibromo-N-(2-phenylcyclohexyl)aniline

2,4-dibromo-N-(2-phenylcyclohexyl)aniline (PubChem CID 63427209) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name2,4-dibromo-N-(2-phenylcyclohexyl)aniline
PubChem CID63427209
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name2,4-dibromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1ccc(NC2CCCCC2c2ccccc2)c(Br)c1
InChIInChI=1S/C18H19Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,17,21H,4-5,8-9H2
InChIKeyPWXHXNGUXZCACR-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,4-dibromo-N-(2-phenylcyclohexyl)aniline 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

4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
2,4-dibromo-N-(2-cyclohexylcyclohexyl)aniline
CID 63427336
4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
CID 43765908
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
3-bromo-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 82796868
4-bromo-N-(2-phenylcyclopropyl)-2-(trifluoromethyl)aniline
CID 65484003
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
2-(2,4-dibromoanilino)cyclobutane-1-carboxylic acid
CID 103247268
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 2,4-dibromo-N-(2-phenylcyclohexyl)aniline (CID 63427209) is 2,4-dibromo-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 2,4-dibromo-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 2,4-dibromo-N-(2-phenylcyclohexyl)aniline is Brc1ccc(NC2CCCCC2c2ccccc2)c(Br)c1.
What is the InChIKey of 2,4-dibromo-N-(2-phenylcyclohexyl)aniline?
The InChIKey is PWXHXNGUXZCACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c19-14-10-11-18(16(20)12-14)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-3,6-7,10-12,15,17,21H,4-5,8-9H2.
What are the key properties of 2,4-dibromo-N-(2-phenylcyclohexyl)aniline?
2,4-dibromo-N-(2-phenylcyclohexyl)aniline has a molecular weight of 409.17 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 63427209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).