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

C18H20BrN — CID 43762869

IUPAC3-bromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1cccc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H20BrN/c19-15-9-6-10-16(13-15)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-3,6-10,13,17-18,20H,4-5,11-12H2
InChIKeyFIJQPBCEHYXNKB-UHFFFAOYSA-N
MW330.27 g/mol
LogP5.59
Rot. Bonds3

About 3-bromo-N-(2-phenylcyclohexyl)aniline

3-bromo-N-(2-phenylcyclohexyl)aniline (PubChem CID 43762869) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-bromo-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(2-phenylcyclohexyl)aniline
PubChem CID43762869
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name3-bromo-N-(2-phenylcyclohexyl)aniline
SMILESBrc1cccc(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C18H20BrN/c19-15-9-6-10-16(13-15)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-3,6-10,13,17-18,20H,4-5,11-12H2
InChIKeyFIJQPBCEHYXNKB-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

trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)cyclohexane-1,2-diamine
CID 12024701
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
2-(3-bromoanilino)cyclohexan-1-ol
CID 60884414
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
N-[(3-bromophenyl)methyl]-2-phenylcyclohexan-1-amine
CID 63454758
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
trans-(1R,2R)-2-(3-bromoanilino)cyclopentan-1-ol
CID 102733003
3-bromo-N-(4-phenylcyclohexyl)aniline
CID 29031587
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
trans-(1R,2R)-2-N-(3-bromophenyl)-2-N-methyl-1-N-phenylcyclohexane-1,2-diamine
CID 134926263
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 3-bromo-N-(2-phenylcyclohexyl)aniline (CID 43762869) is 3-bromo-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 3-bromo-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 3-bromo-N-(2-phenylcyclohexyl)aniline is Brc1cccc(NC2CCCCC2c2ccccc2)c1.
What is the InChIKey of 3-bromo-N-(2-phenylcyclohexyl)aniline?
The InChIKey is FIJQPBCEHYXNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-15-9-6-10-16(13-15)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-3,6-10,13,17-18,20H,4-5,11-12H2.
What are the key properties of 3-bromo-N-(2-phenylcyclohexyl)aniline?
3-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 3-bromo-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43762869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).