2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide

C14H22ClN3O — CID 114849378

IUPAC2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C14H22ClN3O/c1-4-7-17-14(19)10-18(3)13-8-12(15)6-5-11(13)9-16-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyCSVAQGVNWSMBHT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.02
Rot. Bonds7

About 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide

2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide (PubChem CID 114849378) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
PubChem CID114849378
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1cc(Cl)ccc1CNC
InChIInChI=1S/C14H22ClN3O/c1-4-7-17-14(19)10-18(3)13-8-12(15)6-5-11(13)9-16-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,17,19)
InChIKeyCSVAQGVNWSMBHT-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
2-[5-chloro-2-(methylaminomethyl)-N-propylanilino]-N,N-dimethylacetamide
CID 114849652
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
2-(2-amino-4-fluoro-N,5-dimethylanilino)-N-propylacetamide
CID 103590092
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide?
The IUPAC name of 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide (CID 114849378) is 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide.
What is the SMILES notation for 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide?
The canonical SMILES for 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide is CCCNC(=O)CN(C)c1cc(Cl)ccc1CNC.
What is the InChIKey of 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide?
The InChIKey is CSVAQGVNWSMBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-7-17-14(19)10-18(3)13-8-12(15)6-5-11(13)9-16-2/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide?
2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-propylacetamide is sourced from PubChem (CID 114849378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).