4-bromo-2-cyclohexylaniline

C12H16BrN — CID 117104255

IUPAC4-bromo-2-cyclohexylaniline
SMILESNc1ccc(Br)cc1C1CCCCC1
InChIInChI=1S/C12H16BrN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyHAEVLIITILISNU-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.08
Rot. Bonds1

About 4-bromo-2-cyclohexylaniline

4-bromo-2-cyclohexylaniline (PubChem CID 117104255) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-2-cyclohexylaniline.

Molecular Properties

Compound Name4-bromo-2-cyclohexylaniline
PubChem CID117104255
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-2-cyclohexylaniline
SMILESNc1ccc(Br)cc1C1CCCCC1
InChIInChI=1S/C12H16BrN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2
InChIKeyHAEVLIITILISNU-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-cyclohexylphenol
CID 22134516
2-cyclohexyl-4-fluoroaniline
CID 15335253
4-bromo-2-cyclopentylphenol
CID 23090734
2-cyclobutylbenzene-1,4-diamine
CID 57027381
4-bromo-2-chloro-1-cyclohexylbenzene
CID 158332061
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
4-bromo-1-cyclopentyl-2-fluorobenzene
CID 122471293
2-cyclopentyl-4-nitroaniline
CID 68656772
4-bromobenzene-1,2-diamine;methoxycyclohexane
CID 142331232
4-bromo-1-cyclobutyl-2-fluorobenzene
CID 130893148
4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
CID 171774476
(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohexylaniline?
The IUPAC name of 4-bromo-2-cyclohexylaniline (CID 117104255) is 4-bromo-2-cyclohexylaniline.
What is the SMILES notation for 4-bromo-2-cyclohexylaniline?
The canonical SMILES for 4-bromo-2-cyclohexylaniline is Nc1ccc(Br)cc1C1CCCCC1.
What is the InChIKey of 4-bromo-2-cyclohexylaniline?
The InChIKey is HAEVLIITILISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h6-9H,1-5,14H2.
What are the key properties of 4-bromo-2-cyclohexylaniline?
4-bromo-2-cyclohexylaniline has a molecular weight of 254.17 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohexylaniline is sourced from PubChem (CID 117104255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).