3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine

C14H20BrNO — CID 65326004

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(Br)c(CC2CCCC(N)C2)c1
InChIInChI=1S/C14H20BrNO/c1-17-13-5-6-14(15)11(9-13)7-10-3-2-4-12(16)8-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3
InChIKeyOEQXOEQTVGFNHV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.52
Rot. Bonds3

About 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine

3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 65326004) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID65326004
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1ccc(Br)c(CC2CCCC(N)C2)c1
InChIInChI=1S/C14H20BrNO/c1-17-13-5-6-14(15)11(9-13)7-10-3-2-4-12(16)8-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3
InChIKeyOEQXOEQTVGFNHV-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)methyl]-N-propylcycloheptan-1-amine
CID 65326445
2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65323362
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735
4-[(2-bromo-5-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 65323031
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
2-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylcyclohexan-1-one
CID 65323404
1-(2-bromo-5-methoxyphenyl)-4-cyclopentylbutan-2-amine
CID 115862330
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-[1-(2-methoxyethyl)piperidin-4-yl]ethyl]piperidine
CID 23029159

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine (CID 65326004) is 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine is COc1ccc(Br)c(CC2CCCC(N)C2)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is OEQXOEQTVGFNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-17-13-5-6-14(15)11(9-13)7-10-3-2-4-12(16)8-10/h5-6,9-10,12H,2-4,7-8,16H2,1H3.
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine?
3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65326004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).