1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide

C13H19N3O — CID 114016618

IUPAC1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(N2CCCC2C(N)=O)c(CN)c1
InChIInChI=1S/C13H19N3O/c1-9-4-5-11(10(7-9)8-14)16-6-2-3-12(16)13(15)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeySOJBFLPJDGGDLL-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.91
Rot. Bonds3

About 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide

1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide (PubChem CID 114016618) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
PubChem CID114016618
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(N2CCCC2C(N)=O)c(CN)c1
InChIInChI=1S/C13H19N3O/c1-9-4-5-11(10(7-9)8-14)16-6-2-3-12(16)13(15)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeySOJBFLPJDGGDLL-UHFFFAOYSA-N
XLogP0.91
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
CID 114061383
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide (CID 114016618) is 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide is Cc1ccc(N2CCCC2C(N)=O)c(CN)c1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide?
The InChIKey is SOJBFLPJDGGDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-5-11(10(7-9)8-14)16-6-2-3-12(16)13(15)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H2,15,17).
What are the key properties of 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114016618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).