3-(2-chloro-6-methylphenyl)pyrrolidine

C11H14ClN — CID 117103928

IUPAC3-(2-chloro-6-methylphenyl)pyrrolidine
SMILESCc1cccc(Cl)c1C1CCNC1
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyKZIKSXQKDPSTQS-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.73
Rot. Bonds1

About 3-(2-chloro-6-methylphenyl)pyrrolidine

3-(2-chloro-6-methylphenyl)pyrrolidine (PubChem CID 117103928) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-(2-chloro-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-6-methylphenyl)pyrrolidine
PubChem CID117103928
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-(2-chloro-6-methylphenyl)pyrrolidine
SMILESCc1cccc(Cl)c1C1CCNC1
InChIInChI=1S/C11H14ClN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3
InChIKeyKZIKSXQKDPSTQS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-fluorophenyl)pyrrolidine;hydrochloride
CID 169498555
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
1-chloro-3-methyl-2-(4-methylcyclohexyl)benzene
CID 163634029
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
2-chloro-6-pyrrolidin-3-ylaniline
CID 117103718
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-methylphenyl)pyrrolidine?
The IUPAC name of 3-(2-chloro-6-methylphenyl)pyrrolidine (CID 117103928) is 3-(2-chloro-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloro-6-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(2-chloro-6-methylphenyl)pyrrolidine is Cc1cccc(Cl)c1C1CCNC1.
What is the InChIKey of 3-(2-chloro-6-methylphenyl)pyrrolidine?
The InChIKey is KZIKSXQKDPSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-3-2-4-10(12)11(8)9-5-6-13-7-9/h2-4,9,13H,5-7H2,1H3.
What are the key properties of 3-(2-chloro-6-methylphenyl)pyrrolidine?
3-(2-chloro-6-methylphenyl)pyrrolidine has a molecular weight of 195.69 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 117103928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).