[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine

C12H15BrFN — CID 117432913

IUPAC[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H15BrFN/c13-10-4-3-9(7-11(10)14)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
InChIKeyPFVZITBNZKGLDU-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.36
Rot. Bonds2

About [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine

[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine (PubChem CID 117432913) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
PubChem CID117432913
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H15BrFN/c13-10-4-3-9(7-11(10)14)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
InChIKeyPFVZITBNZKGLDU-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
4-[1-(aminomethyl)cyclobutyl]-2-fluoro-N,N-dimethylaniline
CID 117318635
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
[1-(4-fluoro-3-methylsulfonylphenyl)cyclopentyl]methanamine
CID 117431326
[1-(3-fluoro-4,5-dimethylphenyl)cyclopentyl]methanamine
CID 84788177
4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine (CID 117432913) is [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine is NCC1(c2ccc(Br)c(F)c2)CCCC1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine?
The InChIKey is PFVZITBNZKGLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-10-4-3-9(7-11(10)14)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2.
What are the key properties of [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine?
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine has a molecular weight of 272.16 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117432913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).