(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine

C13H18ClN — CID 131581688

IUPAC(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
SMILESCc1ccc([C@@H](N)C2CCCC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3/t13-/m0/s1
InChIKeyPELPVSMPMOQHJO-ZDUSSCGKSA-N
MW223.75 g/mol
LogP3.84
Rot. Bonds2

About (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine

(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine (PubChem CID 131581688) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
PubChem CID131581688
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine
SMILESCc1ccc([C@@H](N)C2CCCC2)cc1Cl
InChIInChI=1S/C13H18ClN/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3/t13-/m0/s1
InChIKeyPELPVSMPMOQHJO-ZDUSSCGKSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(S)-(3-chloro-4-methylphenyl)-cyclobutylmethanamine;hydrochloride
CID 171224005
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
(R)-cyclohexyl-(3,4-dimethylphenyl)methanamine;hydrochloride
CID 171200491
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
(4-bromo-3-chlorophenyl)-cyclobutylmethanamine
CID 112630976
(R)-[3-chloro-4-(trifluoromethyl)phenyl]-cyclopentylmethanamine
CID 171215256
(3-chloro-4-methylphenyl)-(5-methyloxolan-3-yl)methanamine
CID 107562110
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine?
The IUPAC name of (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine (CID 131581688) is (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine.
What is the SMILES notation for (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine?
The canonical SMILES for (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine is Cc1ccc([C@@H](N)C2CCCC2)cc1Cl.
What is the InChIKey of (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine?
The InChIKey is PELPVSMPMOQHJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-6-7-11(8-12(9)14)13(15)10-4-2-3-5-10/h6-8,10,13H,2-5,15H2,1H3/t13-/m0/s1.
What are the key properties of (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine?
(S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-methylphenyl)-cyclopentylmethanamine is sourced from PubChem (CID 131581688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).