2-(2-chloro-3-methoxyphenyl)pyrrolidine

C11H14ClNO — CID 83703297

IUPAC2-(2-chloro-3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c1-14-10-6-2-4-8(11(10)12)9-5-3-7-13-9/h2,4,6,9,13H,3,5,7H2,1H3
InChIKeyJXJHHKBNARVLMK-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.77
Rot. Bonds2

About 2-(2-chloro-3-methoxyphenyl)pyrrolidine

2-(2-chloro-3-methoxyphenyl)pyrrolidine (PubChem CID 83703297) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(2-chloro-3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-3-methoxyphenyl)pyrrolidine
PubChem CID83703297
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(2-chloro-3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCCN2)c1Cl
InChIInChI=1S/C11H14ClNO/c1-14-10-6-2-4-8(11(10)12)9-5-3-7-13-9/h2,4,6,9,13H,3,5,7H2,1H3
InChIKeyJXJHHKBNARVLMK-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-3-methoxyphenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
2-chloro-3-piperidin-2-ylphenol
CID 130000735
N-(2-methoxy-6-piperidin-2-ylphenyl)acetamide
CID 117374229

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(2-chloro-3-methoxyphenyl)pyrrolidine (CID 83703297) is 2-(2-chloro-3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-chloro-3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(2-chloro-3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCCN2)c1Cl.
What is the InChIKey of 2-(2-chloro-3-methoxyphenyl)pyrrolidine?
The InChIKey is JXJHHKBNARVLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-10-6-2-4-8(11(10)12)9-5-3-7-13-9/h2,4,6,9,13H,3,5,7H2,1H3.
What are the key properties of 2-(2-chloro-3-methoxyphenyl)pyrrolidine?
2-(2-chloro-3-methoxyphenyl)pyrrolidine has a molecular weight of 211.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 83703297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).