(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine

C11H14ClN — CID 55274966

IUPAC(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@@H]2CCCN2)c1Cl
InChIInChI=1S/C11H14ClN/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2,4-5,10,13H,3,6-7H2,1H3/t10-/m0/s1
InChIKeyOPZWYVVQTRNLPJ-JTQLQIEISA-N
MW195.69 g/mol
LogP3.07
Rot. Bonds1

About (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine

(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine (PubChem CID 55274966) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
PubChem CID55274966
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
SMILESCc1cccc([C@@H]2CCCN2)c1Cl
InChIInChI=1S/C11H14ClN/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2,4-5,10,13H,3,6-7H2,1H3/t10-/m0/s1
InChIKeyOPZWYVVQTRNLPJ-JTQLQIEISA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
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2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-chloro-3-pyrrolidin-2-ylbenzonitrile
CID 130043692
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2,3-dichloro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66519208
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine (CID 55274966) is (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine is Cc1cccc([C@@H]2CCCN2)c1Cl.
What is the InChIKey of (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine?
The InChIKey is OPZWYVVQTRNLPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-4-2-5-9(11(8)12)10-6-3-7-13-10/h2,4-5,10,13H,3,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine?
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 55274966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).