2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide

C13H20ClN3O — CID 55019790

IUPAC2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-16(2)13(18)9-17(3)12(8-15)10-5-4-6-11(14)7-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyAEQJZPHHPXFFCL-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.36
Rot. Bonds5

About 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide

2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 55019790) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
PubChem CID55019790
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-16(2)13(18)9-17(3)12(8-15)10-5-4-6-11(14)7-10/h4-7,12H,8-9,15H2,1-3H3
InChIKeyAEQJZPHHPXFFCL-UHFFFAOYSA-N
XLogP1.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide 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-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
2-[2-amino-1-(3-chlorophenyl)propyl]sulfanyl-N,N-dimethylacetamide
CID 114233522
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
1-(3-chlorophenyl)-N-cycloheptyl-N-methylethane-1,2-diamine
CID 43613871
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991476
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide (CID 55019790) is 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)C(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is AEQJZPHHPXFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16(2)13(18)9-17(3)12(8-15)10-5-4-6-11(14)7-10/h4-7,12H,8-9,15H2,1-3H3.
What are the key properties of 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide?
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 269.78 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55019790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).