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

C18H20BrN — CID 29031587

IUPAC3-bromo-N-(4-phenylcyclohexyl)aniline
SMILESBrc1cccc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20BrN/c19-16-7-4-8-18(13-16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17,20H,9-12H2
InChIKeyPWLARVOWZYCPKP-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.59
Rot. Bonds3

About 3-bromo-N-(4-phenylcyclohexyl)aniline

3-bromo-N-(4-phenylcyclohexyl)aniline (PubChem CID 29031587) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-bromo-N-(4-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(4-phenylcyclohexyl)aniline
PubChem CID29031587
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name3-bromo-N-(4-phenylcyclohexyl)aniline
SMILESBrc1cccc(NC2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C18H20BrN/c19-16-7-4-8-18(13-16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17,20H,9-12H2
InChIKeyPWLARVOWZYCPKP-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-5-methyl-N-(4-phenylcyclohexyl)aniline
CID 107582419
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
3-bromo-N-[3-(4-bromophenyl)cyclobutyl]aniline
CID 43633547
N-(3-bromophenyl)oxan-4-amine
CID 43608425
4-bromo-2-methyl-N-(4-phenylcyclohexyl)aniline
CID 29032557
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
5-methyl-N-(4-phenylcyclohexyl)pyridin-3-amine
CID 107584855
2-bromo-3-chloro-N-(4-phenylcyclohexyl)aniline
CID 103477966
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
N-cyclopropylaniline;hydrochloride
CID 44717153
N-(4-phenylcyclohexyl)-1H-indazol-6-amine
CID 2847039
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-phenylcyclohexyl)aniline?
The IUPAC name of 3-bromo-N-(4-phenylcyclohexyl)aniline (CID 29031587) is 3-bromo-N-(4-phenylcyclohexyl)aniline.
What is the SMILES notation for 3-bromo-N-(4-phenylcyclohexyl)aniline?
The canonical SMILES for 3-bromo-N-(4-phenylcyclohexyl)aniline is Brc1cccc(NC2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 3-bromo-N-(4-phenylcyclohexyl)aniline?
The InChIKey is PWLARVOWZYCPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-16-7-4-8-18(13-16)20-17-11-9-15(10-12-17)14-5-2-1-3-6-14/h1-8,13,15,17,20H,9-12H2.
What are the key properties of 3-bromo-N-(4-phenylcyclohexyl)aniline?
3-bromo-N-(4-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 3-bromo-N-(4-phenylcyclohexyl)aniline is sourced from PubChem (CID 29031587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).