2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride

C11H17ClN2O2 — CID 166541260

IUPAC2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
SMILESCOc1c(N)cccc1CC(=O)N(C)C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-13(2)10(14)7-8-5-4-6-9(12)11(8)15-3;/h4-6H,7,12H2,1-3H3;1H
InChIKeySTVKRXWIFBVOSD-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.33
Rot. Bonds3

About 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride

2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride (PubChem CID 166541260) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
PubChem CID166541260
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride
SMILESCOc1c(N)cccc1CC(=O)N(C)C.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-13(2)10(14)7-8-5-4-6-9(12)11(8)15-3;/h4-6H,7,12H2,1-3H3;1H
InChIKeySTVKRXWIFBVOSD-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride 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-(2-aminophenyl)-N,N-dimethylacetamide;hydrochloride
CID 141352115
2-(4-amino-2-chloro-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130275786
2-[2-methoxy-3-(methylamino)phenyl]-N,N-dimethylacetamide
CID 166541108
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
tert-butyl N-[(3-amino-2-methoxyphenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22981263
tert-butyl N-[3-[2-(dimethylamino)-2-oxoethyl]-2-methoxyphenyl]carbamate
CID 167266134
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
2-methoxy-3-prop-2-ynylaniline
CID 167114087
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
3-amino-2-methoxybenzoic acid
CID 19849158
2-(4-amino-3-methoxyphenyl)-N,N-dimethylacetamide
CID 130276414
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride (CID 166541260) is 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride is COc1c(N)cccc1CC(=O)N(C)C.Cl.
What is the InChIKey of 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride?
The InChIKey is STVKRXWIFBVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-13(2)10(14)7-8-5-4-6-9(12)11(8)15-3;/h4-6H,7,12H2,1-3H3;1H.
What are the key properties of 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride?
2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methoxyphenyl)-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 166541260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).