1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

C14H21N3O — CID 54986110

IUPAC1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10(11-5-7-12(15)8-6-11)17-9-3-4-13(17)14(18)16-2/h5-8,10,13H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyJMWUNUOAPQWYRM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds3

About 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide

1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 54986110) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID54986110
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O/c1-10(11-5-7-12(15)8-6-11)17-9-3-4-13(17)14(18)16-2/h5-8,10,13H,3-4,9,15H2,1-2H3,(H,16,18)
InChIKeyJMWUNUOAPQWYRM-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
1-[2-amino-1-(4-bromophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 55016173
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
1-[1-[4-(dimethylamino)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 65056078
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 79408269
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
methyl N-[(1S)-2-hydroxy-2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate
CID 126658038
4-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]aniline
CID 82747100
1-[(4-aminophenyl)methylsulfonyl]-N-methylpiperidine-2-carboxamide
CID 61112031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide (CID 54986110) is 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(C)c1ccc(N)cc1.
What is the InChIKey of 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JMWUNUOAPQWYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(11-5-7-12(15)8-6-11)17-9-3-4-13(17)14(18)16-2/h5-8,10,13H,3-4,9,15H2,1-2H3,(H,16,18).
What are the key properties of 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide?
1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54986110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).