2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide

C11H17N3O — CID 129058955

IUPAC2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
SMILESCNc1ccc(CC(=O)N(C)C)cc1N
InChIInChI=1S/C11H17N3O/c1-13-10-5-4-8(6-9(10)12)7-11(15)14(2)3/h4-6,13H,7,12H2,1-3H3
InChIKeyLULVICZJNWVAID-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.94
Rot. Bonds3

About 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide

2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide (PubChem CID 129058955) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
PubChem CID129058955
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide
SMILESCNc1ccc(CC(=O)N(C)C)cc1N
InChIInChI=1S/C11H17N3O/c1-13-10-5-4-8(6-9(10)12)7-11(15)14(2)3/h4-6,13H,7,12H2,1-3H3
InChIKeyLULVICZJNWVAID-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.94
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

2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
1-N-methyl-4-(methylsulfonylmethyl)benzene-1,2-diamine
CID 160506958
2-[4-amino-3-(fluoromethoxy)phenyl]-N,N-dimethylacetamide
CID 130277045
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
CID 90332895
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
2-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide (CID 129058955) is 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide is CNc1ccc(CC(=O)N(C)C)cc1N.
What is the InChIKey of 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide?
The InChIKey is LULVICZJNWVAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-10-5-4-8(6-9(10)12)7-11(15)14(2)3/h4-6,13H,7,12H2,1-3H3.
What are the key properties of 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide?
2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide has a molecular weight of 207.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(methylamino)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 129058955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).