1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine

C12H16ClN — CID 146272450

IUPAC1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
SMILESCc1cc(Cl)ccc1N1CCCC1C
InChIInChI=1S/C12H16ClN/c1-9-8-11(13)5-6-12(9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyHHXDEBYMWLAJLU-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.64
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine

1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine (PubChem CID 146272450) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
PubChem CID146272450
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine
SMILESCc1cc(Cl)ccc1N1CCCC1C
InChIInChI=1S/C12H16ClN/c1-9-8-11(13)5-6-12(9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyHHXDEBYMWLAJLU-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]benzonitrile
CID 93392703
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
1-[4-chloro-2-(chloromethyl)phenyl]-2-methylazepane
CID 114846714
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 114847259
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
N'-hydroxy-3-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 54882615
(2S)-2-methyl-1-(2-methyl-4-pyrrol-1-ylphenyl)piperidine
CID 100803653
2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168516573
N-[[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114847257
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 59168274

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine (CID 146272450) is 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine is Cc1cc(Cl)ccc1N1CCCC1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine?
The InChIKey is HHXDEBYMWLAJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-8-11(13)5-6-12(9)14-7-3-4-10(14)2/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine?
1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 146272450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).