1-(4-bromo-2-methylphenyl)cyclohexan-1-amine

C13H18BrN — CID 82305048

IUPAC1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)ccc1C1(N)CCCCC1
InChIInChI=1S/C13H18BrN/c1-10-9-11(14)5-6-12(10)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyARPCHHUSVMLJGA-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.88
Rot. Bonds1

About 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine

1-(4-bromo-2-methylphenyl)cyclohexan-1-amine (PubChem CID 82305048) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
PubChem CID82305048
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
SMILESCc1cc(Br)ccc1C1(N)CCCCC1
InChIInChI=1S/C13H18BrN/c1-10-9-11(14)5-6-12(10)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyARPCHHUSVMLJGA-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117453302
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(5-chloro-2,4-dimethylphenyl)cyclohexan-1-amine
CID 84799014
3-(1-aminocyclohexyl)-4-bromo-5-methylphenol
CID 84813037
1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
CID 167713410

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine (CID 82305048) is 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine is Cc1cc(Br)ccc1C1(N)CCCCC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine?
The InChIKey is ARPCHHUSVMLJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10-9-11(14)5-6-12(10)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine?
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 82305048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).