(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine

C12H15ClFN — CID 131512229

IUPAC(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
SMILESN[C@H](c1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C12H15ClFN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1
InChIKeyCUZFMXZJANRYOH-LBPRGKRZSA-N
MW227.71 g/mol
LogP3.67
Rot. Bonds2

About (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine

(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine (PubChem CID 131512229) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
PubChem CID131512229
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
SMILESN[C@H](c1cc(F)ccc1Cl)C1CCCC1
InChIInChI=1S/C12H15ClFN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1
InChIKeyCUZFMXZJANRYOH-LBPRGKRZSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(S)-cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 171228691
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319

Frequently Asked Questions

What is the IUPAC name of (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine?
The IUPAC name of (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine (CID 131512229) is (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine.
What is the SMILES notation for (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine?
The canonical SMILES for (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine is N[C@H](c1cc(F)ccc1Cl)C1CCCC1.
What is the InChIKey of (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine?
The InChIKey is CUZFMXZJANRYOH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-6-5-9(14)7-10(11)12(15)8-3-1-2-4-8/h5-8,12H,1-4,15H2/t12-/m0/s1.
What are the key properties of (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine?
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine is sourced from PubChem (CID 131512229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).