2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine

C12H16ClN — CID 23452576

IUPAC2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClN/c1-14-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyYGWNSMNBSSEOTC-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.98
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine

2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine (PubChem CID 23452576) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
PubChem CID23452576
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCCC1Cc1ccccc1Cl
InChIInChI=1S/C12H16ClN/c1-14-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyYGWNSMNBSSEOTC-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
4-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
CID 138997310
2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95172453
4-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 52747724
4-amino-1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butan-1-one
CID 124699273
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
1-[(2-chlorophenyl)methyl]-3-ethyl-1-methyl-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111294587
1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
CID 75078966
1-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 95350150
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine (CID 23452576) is 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine is CN1CCCC1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine?
The InChIKey is YGWNSMNBSSEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-14-8-4-6-11(14)9-10-5-2-3-7-12(10)13/h2-3,5,7,11H,4,6,8-9H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine?
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 23452576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).