[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol

C13H18BrNO — CID 115885001

IUPAC[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
SMILESCC1CCCC1Nc1cccc(Br)c1CO
InChIInChI=1S/C13H18BrNO/c1-9-4-2-6-12(9)15-13-7-3-5-11(14)10(13)8-16/h3,5,7,9,12,15-16H,2,4,6,8H2,1H3
InChIKeyFHHCDSVARZELNP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.54
Rot. Bonds3

About [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol

[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol (PubChem CID 115885001) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
PubChem CID115885001
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
SMILESCC1CCCC1Nc1cccc(Br)c1CO
InChIInChI=1S/C13H18BrNO/c1-9-4-2-6-12(9)15-13-7-3-5-11(14)10(13)8-16/h3,5,7,9,12,15-16H,2,4,6,8H2,1H3
InChIKeyFHHCDSVARZELNP-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
CID 107597928
[2-[(2,3-dimethylcyclohexyl)amino]phenyl]methanol
CID 64762855
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
CID 115929258
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
2-methyl-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043898
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
2-ethyl-N-(2-methylcyclohexyl)aniline
CID 43095688
trans-(1R,2R)-2-(3-bromo-2-methylanilino)cyclohexan-1-ol
CID 107633800

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol?
The IUPAC name of [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol (CID 115885001) is [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol.
What is the SMILES notation for [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol?
The canonical SMILES for [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol is CC1CCCC1Nc1cccc(Br)c1CO.
What is the InChIKey of [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol?
The InChIKey is FHHCDSVARZELNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-4-2-6-12(9)15-13-7-3-5-11(14)10(13)8-16/h3,5,7,9,12,15-16H,2,4,6,8H2,1H3.
What are the key properties of [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol?
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol has a molecular weight of 284.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol is sourced from PubChem (CID 115885001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).