3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C15H23ClN2O — CID 119513702

IUPAC3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1ccccc1CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-2-3-6-13(12)8-9-15(18)17-11-14-7-4-10-16-14;/h2-3,5-6,14,16H,4,7-11H2,1H3,(H,17,18);1H
InChIKeyJPTKMQMZVVUZLH-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119513702) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119513702
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCc1ccccc1CCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-5-2-3-6-13(12)8-9-15(18)17-11-14-7-4-10-16-14;/h2-3,5-6,14,16H,4,7-11H2,1H3,(H,17,18);1H
InChIKeyJPTKMQMZVVUZLH-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
3-(2,5-difluorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513358
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
2-(2-ethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510399
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(2-ethoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511064

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119513702) is 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is Cc1ccccc1CCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is JPTKMQMZVVUZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-5-2-3-6-13(12)8-9-15(18)17-11-14-7-4-10-16-14;/h2-3,5-6,14,16H,4,7-11H2,1H3,(H,17,18);1H.
What are the key properties of 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119513702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).