2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide

C15H23N3O — CID 102784771

IUPAC2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)C2CN)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-13(8-11)17-15(19)10-18-7-6-12(2)14(18)9-16/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyBCGFDHLEUYAIRE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds4

About 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide

2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 102784771) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID102784771
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(C)C2CN)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-13(8-11)17-15(19)10-18-7-6-12(2)14(18)9-16/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyBCGFDHLEUYAIRE-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 119925950
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-methylphenyl)acetamide
CID 9001964
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(3-bromophenyl)acetamide
CID 103353042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide (CID 102784771) is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCC(C)C2CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is BCGFDHLEUYAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-5-13(8-11)17-15(19)10-18-7-6-12(2)14(18)9-16/h3-5,8,12,14H,6-7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide?
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 102784771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).