(2-bromo-3-fluorophenyl)-cyclopentylmethanamine

C12H15BrFN — CID 112631047

IUPAC(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
SMILESNC(c1cccc(F)c1Br)C1CCCC1
InChIInChI=1S/C12H15BrFN/c13-11-9(6-3-7-10(11)14)12(15)8-4-1-2-5-8/h3,6-8,12H,1-2,4-5,15H2
InChIKeyPQLWSXVPMFIGHC-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.78
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-cyclopentylmethanamine

(2-bromo-3-fluorophenyl)-cyclopentylmethanamine (PubChem CID 112631047) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
PubChem CID112631047
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
SMILESNC(c1cccc(F)c1Br)C1CCCC1
InChIInChI=1S/C12H15BrFN/c13-11-9(6-3-7-10(11)14)12(15)8-4-1-2-5-8/h3,6-8,12H,1-2,4-5,15H2
InChIKeyPQLWSXVPMFIGHC-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
(2-bromo-3,4-difluorophenyl)-cyclopentylmethanamine
CID 103852506
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanamine
CID 103852507
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
[(2-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340099
(S)-cyclopentyl-[3-fluoro-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171231037
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-cyclopentylmethanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-cyclopentylmethanamine (CID 112631047) is (2-bromo-3-fluorophenyl)-cyclopentylmethanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-cyclopentylmethanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-cyclopentylmethanamine is NC(c1cccc(F)c1Br)C1CCCC1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-cyclopentylmethanamine?
The InChIKey is PQLWSXVPMFIGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c13-11-9(6-3-7-10(11)14)12(15)8-4-1-2-5-8/h3,6-8,12H,1-2,4-5,15H2.
What are the key properties of (2-bromo-3-fluorophenyl)-cyclopentylmethanamine?
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine has a molecular weight of 272.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-cyclopentylmethanamine is sourced from PubChem (CID 112631047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).