1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C13H19N3O — CID 114081799

IUPAC1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESNCc1ccccc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C13H19N3O/c14-7-10-3-1-2-4-11(10)8-16-6-5-12(9-16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyCEGCINDPRLPBIE-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.45
Rot. Bonds4

About 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 114081799) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID114081799
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESNCc1ccccc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C13H19N3O/c14-7-10-3-1-2-4-11(10)8-16-6-5-12(9-16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17)
InChIKeyCEGCINDPRLPBIE-UHFFFAOYSA-N
XLogP0.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(3-bromo-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 126842156
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 43473268
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 114081799) is 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide is NCc1ccccc1CN1CCC(C(N)=O)C1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is CEGCINDPRLPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-7-10-3-1-2-4-11(10)8-16-6-5-12(9-16)13(15)17/h1-4,12H,5-9,14H2,(H2,15,17).
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114081799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).