2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide

C13H20ClN3O — CID 114068279

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

About 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide

2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide (PubChem CID 114068279) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
PubChem CID114068279
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1c(Cl)cccc1CNC
InChIInChI=1S/C13H20ClN3O/c1-4-17(9-12(18)16-3)13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyTWMYFNRKOIRLGM-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-chloro-N-ethyl-6-(methylaminomethyl)-N-(2-methylbutyl)aniline
CID 114068616
N-butyl-2-chloro-N-ethyl-6-(methylaminomethyl)aniline
CID 114068112
2-[2-chloro-N-methyl-6-(methylaminomethyl)anilino]-N-ethylacetamide
CID 114068290
2-(3-chloro-N-ethyl-2-nitroanilino)-N-methylacetamide
CID 113459274
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
2-[2-chloro-6-[(cyclopropylamino)methyl]-N-ethylanilino]ethanol
CID 114068233
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-chloro-N-methyl-6-(methylaminomethyl)-N-(3-methylsulfanylpropyl)aniline
CID 114237576

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide (CID 114068279) is 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide is CCN(CC(=O)NC)c1c(Cl)cccc1CNC.
What is the InChIKey of 2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide?
The InChIKey is TWMYFNRKOIRLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17(9-12(18)16-3)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-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide?
2-[2-chloro-N-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide 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-ethyl-6-(methylaminomethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 114068279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).