2-(3-methylphenyl)pyrrolidine;hydrochloride

C11H16ClN — CID 45156256

IUPAC2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2CCCN2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-4-2-5-10(8-9)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H
InChIKeyYILABYHAMTZWQO-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.84
Rot. Bonds1

About 2-(3-methylphenyl)pyrrolidine;hydrochloride

2-(3-methylphenyl)pyrrolidine;hydrochloride (PubChem CID 45156256) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(3-methylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenyl)pyrrolidine;hydrochloride
PubChem CID45156256
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(3-methylphenyl)pyrrolidine;hydrochloride
SMILESCc1cccc(C2CCCN2)c1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-4-2-5-10(8-9)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H
InChIKeyYILABYHAMTZWQO-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(3-methylsulfonylphenyl)pyrrolidine;hydrochloride
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(2R)-2-(4-methylphenyl)pyrrolidine
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(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
2-(6-methylnaphthalen-2-yl)piperidine
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2-(3-chlorophenyl)azepane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 2-(3-methylphenyl)pyrrolidine;hydrochloride (CID 45156256) is 2-(3-methylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2-(3-methylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2-(3-methylphenyl)pyrrolidine;hydrochloride is Cc1cccc(C2CCCN2)c1.Cl.
What is the InChIKey of 2-(3-methylphenyl)pyrrolidine;hydrochloride?
The InChIKey is YILABYHAMTZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-9-4-2-5-10(8-9)11-6-3-7-12-11;/h2,4-5,8,11-12H,3,6-7H2,1H3;1H.
What are the key properties of 2-(3-methylphenyl)pyrrolidine;hydrochloride?
2-(3-methylphenyl)pyrrolidine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 45156256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).