1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine

C12H15BrFN — CID 84809683

IUPAC1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
SMILESCc1ccc(Br)c(F)c1C1(N)CCCC1
InChIInChI=1S/C12H15BrFN/c1-8-4-5-9(13)11(14)10(8)12(15)6-2-3-7-12/h4-5H,2-3,6-7,15H2,1H3
InChIKeyDBZNEAKSHYCOFB-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.62
Rot. Bonds1

About 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine

1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine (PubChem CID 84809683) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
PubChem CID84809683
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
SMILESCc1ccc(Br)c(F)c1C1(N)CCCC1
InChIInChI=1S/C12H15BrFN/c1-8-4-5-9(13)11(14)10(8)12(15)6-2-3-7-12/h4-5H,2-3,6-7,15H2,1H3
InChIKeyDBZNEAKSHYCOFB-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-bromo-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84800343
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine (CID 84809683) is 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine is Cc1ccc(Br)c(F)c1C1(N)CCCC1.
What is the InChIKey of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine?
The InChIKey is DBZNEAKSHYCOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-4-5-9(13)11(14)10(8)12(15)6-2-3-7-12/h4-5H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine?
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 84809683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).