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

C12H19N3O — CID 62325164

IUPAC3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-14-12(16)6-7-15(2)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9,13H2,1-2H3,(H,14,16)
InChIKeyQQTAPLQDIWBTDD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.84
Rot. Bonds5

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

3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 62325164) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID62325164
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1cccc(N)c1
InChIInChI=1S/C12H19N3O/c1-14-12(16)6-7-15(2)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9,13H2,1-2H3,(H,14,16)
InChIKeyQQTAPLQDIWBTDD-UHFFFAOYSA-N
XLogP0.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.84
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-ethylpropanamide
CID 62325163
2-[(3-aminophenyl)methyl-propylamino]-N-methylacetamide
CID 43459714
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
[3-(methylamino)-3-oxopropyl] 2-(3-aminophenyl)acetate
CID 62500028
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
CID 43457988
methyl 3-[(3-aminophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79624017
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide (CID 62325164) is 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)Cc1cccc(N)c1.
What is the InChIKey of 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is QQTAPLQDIWBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14-12(16)6-7-15(2)9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide?
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 0.84, 5 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-methylpropanamide is sourced from PubChem (CID 62325164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).