(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine

C13H17ClFN — CID 171209698

IUPAC(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
SMILESCc1ccc(F)c([C@H](N)C2CCCC2)c1Cl
InChIInChI=1S/C13H17ClFN/c1-8-6-7-10(15)11(12(8)14)13(16)9-4-2-3-5-9/h6-7,9,13H,2-5,16H2,1H3/t13-/m1/s1
InChIKeyIQCCRRABDLNZDZ-CYBMUJFWSA-N
MW241.74 g/mol
LogP3.98
Rot. Bonds2

About (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine

(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine (PubChem CID 171209698) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
PubChem CID171209698
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
SMILESCc1ccc(F)c([C@H](N)C2CCCC2)c1Cl
InChIInChI=1S/C13H17ClFN/c1-8-6-7-10(15)11(12(8)14)13(16)9-4-2-3-5-9/h6-7,9,13H,2-5,16H2,1H3/t13-/m1/s1
InChIKeyIQCCRRABDLNZDZ-CYBMUJFWSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-chloro-6-fluoro-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171242907
(1S,2R)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264050
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
(1R,2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171269724
2-[(R)-amino(cyclobutyl)methyl]-3-fluoro-6-methylphenol
CID 131448433
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
2-[(S)-amino(cyclohexyl)methyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253546
(S)-(4-chloro-2,6-difluorophenyl)-cyclopentylmethanamine
CID 131484031
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
cycloheptyl-(2,6-difluorophenyl)methanamine
CID 65399556
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851

Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine?
The IUPAC name of (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine (CID 171209698) is (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine.
What is the SMILES notation for (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine?
The canonical SMILES for (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine is Cc1ccc(F)c([C@H](N)C2CCCC2)c1Cl.
What is the InChIKey of (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine?
The InChIKey is IQCCRRABDLNZDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8-6-7-10(15)11(12(8)14)13(16)9-4-2-3-5-9/h6-7,9,13H,2-5,16H2,1H3/t13-/m1/s1.
What are the key properties of (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine?
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine is sourced from PubChem (CID 171209698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).