2-(2-aminophenyl)-N-methylacetamide

C9H12N2O — CID 16772909

IUPAC2-(2-aminophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1N
InChIInChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyRWZSFUHBNNZPJU-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.56
Rot. Bonds2

About 2-(2-aminophenyl)-N-methylacetamide

2-(2-aminophenyl)-N-methylacetamide (PubChem CID 16772909) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-methylacetamide
PubChem CID16772909
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(2-aminophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1N
InChIInChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKeyRWZSFUHBNNZPJU-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-(2-aminophenyl)acetate
CID 61321081
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-(2-aminophenyl)-N-prop-2-ynylacetamide
CID 61118028
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
CID 62496408
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
2-[[2-(2-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 113315006
2-(2-amino-3-pyridinyl)-N-methylacetamide;hydrochloride
CID 130695658

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-methylacetamide?
The IUPAC name of 2-(2-aminophenyl)-N-methylacetamide (CID 16772909) is 2-(2-aminophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-methylacetamide is CNC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-methylacetamide?
The InChIKey is RWZSFUHBNNZPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-9(12)6-7-4-2-3-5-8(7)10/h2-5H,6,10H2,1H3,(H,11,12).
What are the key properties of 2-(2-aminophenyl)-N-methylacetamide?
2-(2-aminophenyl)-N-methylacetamide has a molecular weight of 164.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-methylacetamide is sourced from PubChem (CID 16772909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).