1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H21N3O — CID 43575439

IUPAC1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)13-7-4-8-17(13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3
InChIKeyHALUAAMOPSOQKH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.32
Rot. Bonds3

About 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43575439) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43575439
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1cccc(N)c1
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)13-7-4-8-17(13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3
InChIKeyHALUAAMOPSOQKH-UHFFFAOYSA-N
XLogP1.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 103349926
1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575433
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43576049
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
methyl 1-[[3-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 63382595
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714
(2S)-1-[[3-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910755

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 43575439) is 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1cccc(N)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HALUAAMOPSOQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)13-7-4-8-17(13)10-11-5-3-6-12(15)9-11/h3,5-6,9,13H,4,7-8,10,15H2,1-2H3.
What are the key properties of 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43575439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).