2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide

C13H20ClN3O — CID 62688638

IUPAC2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(CCN)CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-16(7-6-15)10-13(18)17(2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3
InChIKeyWCPXCVCCAOFYAN-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.19
Rot. Bonds6

About 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide

2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 62688638) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
PubChem CID62688638
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(CCN)CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H20ClN3O/c1-16(7-6-15)10-13(18)17(2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3
InChIKeyWCPXCVCCAOFYAN-UHFFFAOYSA-N
XLogP1.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropylsulfanyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 66216849
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
2-tert-butylsulfanyl-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 78771093
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-[(3-chlorophenyl)methyl]-2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102677225
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide (CID 62688638) is 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide is CN(CCN)CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is WCPXCVCCAOFYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-16(7-6-15)10-13(18)17(2)9-11-4-3-5-12(14)8-11/h3-5,8H,6-7,9-10,15H2,1-2H3.
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 269.78 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 62688638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).