1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine

C12H14BrF2N — CID 117468481

IUPAC1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(Br)c(F)c(C2(N)CCCC2)c1F
InChIInChI=1S/C12H14BrF2N/c1-7-6-8(13)11(15)9(10(7)14)12(16)4-2-3-5-12/h6H,2-5,16H2,1H3
InChIKeyVSRWBLXZRWWDFN-UHFFFAOYSA-N
MW290.15 g/mol
LogP3.76
Rot. Bonds1

About 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine

1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine (PubChem CID 117468481) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
PubChem CID117468481
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(Br)c(F)c(C2(N)CCCC2)c1F
InChIInChI=1S/C12H14BrF2N/c1-7-6-8(13)11(15)9(10(7)14)12(16)4-2-3-5-12/h6H,2-5,16H2,1H3
InChIKeyVSRWBLXZRWWDFN-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropan-1-ol
CID 117411677
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117469962
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
1-(3-bromo-6-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84809682
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine
CID 117112984

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine (CID 117468481) is 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine is Cc1cc(Br)c(F)c(C2(N)CCCC2)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine?
The InChIKey is VSRWBLXZRWWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c1-7-6-8(13)11(15)9(10(7)14)12(16)4-2-3-5-12/h6H,2-5,16H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine?
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine has a molecular weight of 290.15 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117468481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).