2-amino-1-(2-amino-4-methoxyphenyl)ethanone

C9H12N2O2 — CID 105438694

IUPAC2-amino-1-(2-amino-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-2-3-7(8(11)4-6)9(12)5-10/h2-4H,5,10-11H2,1H3
InChIKeyNLXVCZZMCUNRMA-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-1-(2-amino-4-methoxyphenyl)ethanone

2-amino-1-(2-amino-4-methoxyphenyl)ethanone (PubChem CID 105438694) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-1-(2-amino-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-amino-4-methoxyphenyl)ethanone
PubChem CID105438694
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-1-(2-amino-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-6-2-3-7(8(11)4-6)9(12)5-10/h2-4H,5,10-11H2,1H3
InChIKeyNLXVCZZMCUNRMA-UHFFFAOYSA-N
XLogP0.42
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-1-(2-amino-4-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116602379
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
(E)-2-amino-1-(2-amino-4-methoxyphenyl)-3-hydroxyprop-2-en-1-one
CID 156713473
(2-amino-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 22229235
3,3-dimethylbutyl 2-amino-4-methoxybenzoate
CID 113223150
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-4-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-amino-4-methoxyphenyl)ethanone (CID 105438694) is 2-amino-1-(2-amino-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-amino-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-amino-4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN)c(N)c1.
What is the InChIKey of 2-amino-1-(2-amino-4-methoxyphenyl)ethanone?
The InChIKey is NLXVCZZMCUNRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-2-3-7(8(11)4-6)9(12)5-10/h2-4H,5,10-11H2,1H3.
What are the key properties of 2-amino-1-(2-amino-4-methoxyphenyl)ethanone?
2-amino-1-(2-amino-4-methoxyphenyl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-4-methoxyphenyl)ethanone is sourced from PubChem (CID 105438694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).