[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine

C13H17BrFN — CID 117461259

IUPAC[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(C2(CN)CCCC2)c(Br)c1F
InChIInChI=1S/C13H17BrFN/c1-9-4-5-10(11(14)12(9)15)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyNUHKYIGVDAKYBK-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.67
Rot. Bonds2

About [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine

[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine (PubChem CID 117461259) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
PubChem CID117461259
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
SMILESCc1ccc(C2(CN)CCCC2)c(Br)c1F
InChIInChI=1S/C13H17BrFN/c1-9-4-5-10(11(14)12(9)15)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3
InChIKeyNUHKYIGVDAKYBK-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(2,3-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351215
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
[1-(2,5-dimethylphenyl)cyclopentyl]methanamine
CID 82491829
[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
[1-(3-bromo-2-fluorophenyl)cyclohexyl]methanamine
CID 117461246
[1-(5-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methanamine
CID 117497247
[1-(4-bromo-2,5-dimethylphenyl)cyclopentyl]methanamine
CID 84812408

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine (CID 117461259) is [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine is Cc1ccc(C2(CN)CCCC2)c(Br)c1F.
What is the InChIKey of [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine?
The InChIKey is NUHKYIGVDAKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9-4-5-10(11(14)12(9)15)13(8-16)6-2-3-7-13/h4-5H,2-3,6-8,16H2,1H3.
What are the key properties of [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine?
[1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine has a molecular weight of 286.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluoro-4-methylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117461259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).