2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine

C12H16ClN — CID 117299743

IUPAC2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCCN2)c1Cl
InChIInChI=1S/C12H16ClN/c1-9-4-2-5-10(12(9)13)8-11-6-3-7-14-11/h2,4-5,11,14H,3,6-8H2,1H3
InChIKeyHFHWLXDULJXQJE-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.94
Rot. Bonds2

About 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine

2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine (PubChem CID 117299743) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
PubChem CID117299743
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
SMILESCc1cccc(CC2CCCN2)c1Cl
InChIInChI=1S/C12H16ClN/c1-9-4-2-5-10(12(9)13)8-11-6-3-7-14-11/h2,4-5,11,14H,3,6-8H2,1H3
InChIKeyHFHWLXDULJXQJE-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(2-chloro-3,5-dimethylphenyl)methyl]piperidine
CID 117348318
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine (CID 117299743) is 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine is Cc1cccc(CC2CCCN2)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine?
The InChIKey is HFHWLXDULJXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-4-2-5-10(12(9)13)8-11-6-3-7-14-11/h2,4-5,11,14H,3,6-8H2,1H3.
What are the key properties of 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine?
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117299743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).