2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide

C13H21N3O — CID 43458331

IUPAC2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-10(13(17)15(2)3)16(4)9-11-5-7-12(14)8-6-11/h5-8,10H,9,14H2,1-4H3
InChIKeyCSSFBLCACOERJE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.18
Rot. Bonds4

About 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide

2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 43458331) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID43458331
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-10(13(17)15(2)3)16(4)9-11-5-7-12(14)8-6-11/h5-8,10H,9,14H2,1-4H3
InChIKeyCSSFBLCACOERJE-UHFFFAOYSA-N
XLogP1.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
2-[(4-aminophenyl)methyl-methylamino]propane-1,3-diol
CID 18472400
N-[(4-aminophenyl)methyl]-N,2-dimethyl-3-methylsulfanylpropanamide
CID 114221695
(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225151
1-[(4-aminophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 43458218
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
2-(4-aminophenyl)sulfonyl-N,N-dimethylpropanamide
CID 61368602
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide (CID 43458331) is 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(C)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is CSSFBLCACOERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(13(17)15(2)3)16(4)9-11-5-7-12(14)8-6-11/h5-8,10H,9,14H2,1-4H3.
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide?
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43458331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).