2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide

C13H20ClN3O — CID 114068290

IUPAC2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(Cl)cccc1CNC
InChIInChI=1S/C13H20ClN3O/c1-4-16-12(18)9-17(3)13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyQODQBAJMQGUFHY-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.63
Rot. Bonds6

About 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide

2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide (PubChem CID 114068290) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
PubChem CID114068290
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1c(Cl)cccc1CNC
InChIInChI=1S/C13H20ClN3O/c1-4-16-12(18)9-17(3)13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyQODQBAJMQGUFHY-UHFFFAOYSA-N
XLogP1.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
CID 114068279
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
2-chloro-N-methyl-6-(methylaminomethyl)-N-(3-methylsulfanylpropyl)aniline
CID 114237576
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
CID 114849378
N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
CID 114068112
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
2-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114068616
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide?
The IUPAC name of 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide (CID 114068290) is 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide?
The canonical SMILES for 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide is CCNC(=O)CN(C)c1c(Cl)cccc1CNC.
What is the InChIKey of 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide?
The InChIKey is QODQBAJMQGUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-16-12(18)9-17(3)13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide?
2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide has a molecular weight of 269.78 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide is sourced from PubChem (CID 114068290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).