(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine

C11H14ClN — CID 55253037

IUPAC(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
SMILESCc1cc([C@@H]2CCCN2)ccc1Cl
InChIInChI=1S/C11H14ClN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyUBQOYOWWVWPKJE-NSHDSACASA-N
MW195.69 g/mol
LogP3.07
Rot. Bonds1

About (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine

(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine (PubChem CID 55253037) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
PubChem CID55253037
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
SMILESCc1cc([C@@H]2CCCN2)ccc1Cl
InChIInChI=1S/C11H14ClN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyUBQOYOWWVWPKJE-NSHDSACASA-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

2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-methyl-4-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 66518349
2-(4-chloro-3-propan-2-yloxyphenyl)pyrrolidine
CID 84800143
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine (CID 55253037) is (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine is Cc1cc([C@@H]2CCCN2)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine?
The InChIKey is UBQOYOWWVWPKJE-NSHDSACASA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-7-9(4-5-10(8)12)11-3-2-6-13-11/h4-5,7,11,13H,2-3,6H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenyl)pyrrolidine?
(2S)-2-(4-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-(4-chloro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 55253037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).