1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one

C12H18N2O2 — CID 83822875

IUPAC1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
SMILESCOc1ccc(C)cc1N(C)CC(=O)CN
InChIInChI=1S/C12H18N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)8-10(15)7-13/h4-6H,7-8,13H2,1-3H3
InChIKeyNEVHDCJKZMZYSG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.97
Rot. Bonds5

About 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one

1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one (PubChem CID 83822875) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
PubChem CID83822875
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
SMILESCOc1ccc(C)cc1N(C)CC(=O)CN
InChIInChI=1S/C12H18N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)8-10(15)7-13/h4-6H,7-8,13H2,1-3H3
InChIKeyNEVHDCJKZMZYSG-UHFFFAOYSA-N
XLogP0.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one 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

N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
2-[N-(carboxymethyl)-2-methoxy-5-methylanilino]acetic acid
CID 94690899
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-[N-(2-acetyloxyethyl)-2-methoxy-5-methylanilino]ethyl acetate
CID 57325233
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
3-chloro-N-(2-methoxy-5-methylphenyl)-N-methylpropanamide
CID 115162379

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one?
The IUPAC name of 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one (CID 83822875) is 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one.
What is the SMILES notation for 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one?
The canonical SMILES for 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one is COc1ccc(C)cc1N(C)CC(=O)CN.
What is the InChIKey of 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one?
The InChIKey is NEVHDCJKZMZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)8-10(15)7-13/h4-6H,7-8,13H2,1-3H3.
What are the key properties of 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one?
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one is sourced from PubChem (CID 83822875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).