N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide

C14H21N3O — CID 113402120

IUPACN-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10(12-4-3-5-13(15)8-12)17-7-6-14(9-17)16-11(2)18/h3-5,8,10,14H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQDJMSWWFFLYLCD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds3

About N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide

N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 113402120) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID113402120
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(C)c2cccc(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10(12-4-3-5-13(15)8-12)17-7-6-14(9-17)16-11(2)18/h3-5,8,10,14H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQDJMSWWFFLYLCD-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-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 107712044
1-[1-(3-aminophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 131736798
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166588
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide (CID 113402120) is N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(C)c2cccc(N)c2)C1.
What is the InChIKey of N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is QDJMSWWFFLYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(12-4-3-5-13(15)8-12)17-7-6-14(9-17)16-11(2)18/h3-5,8,10,14H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide?
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide 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 N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).