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

C13H18BrNO — CID 117457081

IUPAC1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(Br)ccc1C1(N)CCCCC1
InChIInChI=1S/C13H18BrNO/c1-16-12-9-10(14)5-6-11(12)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyZJQCYVYTHHPJHG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.58
Rot. Bonds2

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

1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine (PubChem CID 117457081) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
PubChem CID117457081
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(Br)ccc1C1(N)CCCCC1
InChIInChI=1S/C13H18BrNO/c1-16-12-9-10(14)5-6-11(12)13(15)7-3-2-4-8-13/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyZJQCYVYTHHPJHG-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(4-bromo-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498389
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
4-bromo-1-methoxy-2-(1-methylcyclohexyl)benzene
CID 10684359
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480325
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine (CID 117457081) is 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine is COc1cc(Br)ccc1C1(N)CCCCC1.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine?
The InChIKey is ZJQCYVYTHHPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-12-9-10(14)5-6-11(12)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-methoxyphenyl)cyclohexan-1-amine?
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117457081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).