3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide

C13H21N3O — CID 62325163

IUPAC3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)Cc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-3-15-13(17)7-8-16(2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyPCYHRDBFNJWVHP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.23
Rot. Bonds6

About 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide

3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide (PubChem CID 62325163) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
PubChem CID62325163
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
SMILESCCNC(=O)CCN(C)Cc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-3-15-13(17)7-8-16(2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17)
InChIKeyPCYHRDBFNJWVHP-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.23
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

3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
CID 43457988
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
methyl 3-[(3-aminophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79624017
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
3-[(3-aminophenyl)carbamoylamino]-N-ethylpropanamide
CID 113410713
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The IUPAC name of 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide (CID 62325163) is 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide is CCNC(=O)CCN(C)Cc1cccc(N)c1.
What is the InChIKey of 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
The InChIKey is PCYHRDBFNJWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-15-13(17)7-8-16(2)10-11-5-4-6-12(14)9-11/h4-6,9H,3,7-8,10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide?
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide is sourced from PubChem (CID 62325163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).