[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine

C13H17BrFN — CID 62723685

IUPAC[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C13H17BrFN/c14-12-4-3-11(15)7-10(12)8-13(9-16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2
InChIKeyBXZHQEHJZWTYFA-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds3

About [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine

[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine (PubChem CID 62723685) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
PubChem CID62723685
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
SMILESNCC1(Cc2cc(F)ccc2Br)CCCC1
InChIInChI=1S/C13H17BrFN/c14-12-4-3-11(15)7-10(12)8-13(9-16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2
InChIKeyBXZHQEHJZWTYFA-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2,5-difluorophenyl)methyl]cycloheptyl]methanamine
CID 65390913
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194817
[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
CID 63520722
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
2-bromo-1-[[1-(chloromethyl)cyclohexyl]methyl]-4-fluorobenzene
CID 66033772
[1-[(5-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105375873
[1-[(2-bromo-5-methoxyphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65389985
[1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 107280261

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine (CID 62723685) is [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine is NCC1(Cc2cc(F)ccc2Br)CCCC1.
What is the InChIKey of [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine?
The InChIKey is BXZHQEHJZWTYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-12-4-3-11(15)7-10(12)8-13(9-16)5-1-2-6-13/h3-4,7H,1-2,5-6,8-9,16H2.
What are the key properties of [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine?
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine has a molecular weight of 286.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 62723685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).