3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide

C14H23N3O — CID 62324815

IUPAC3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)Cc1ccccc1N
InChIInChI=1S/C14H23N3O/c1-3-9-17(10-8-14(18)16-2)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyISCTXKQLRNODIR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds7

About 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide

3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide (PubChem CID 62324815) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
PubChem CID62324815
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
SMILESCCCN(CCC(=O)NC)Cc1ccccc1N
InChIInChI=1S/C14H23N3O/c1-3-9-17(10-8-14(18)16-2)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyISCTXKQLRNODIR-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.62
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

methyl 3-[(2-aminophenyl)methyl-propylamino]propanoate
CID 63949117
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
3-(dipropylamino)-N-methylpropanamide
CID 90814262
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-[(2-aminophenyl)methyl-propylamino]-N-(3-methoxypropyl)acetamide
CID 61486088
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[(2-aminophenyl)methyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 43459973
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide (CID 62324815) is 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide is CCCN(CCC(=O)NC)Cc1ccccc1N.
What is the InChIKey of 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide?
The InChIKey is ISCTXKQLRNODIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-17(10-8-14(18)16-2)11-12-6-4-5-7-13(12)15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide?
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide is sourced from PubChem (CID 62324815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).