3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide

C14H22ClN3O — CID 106914743

IUPAC3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-10(14(19)17-2)9-18(3)13(8-16)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyFSCOBHJEHVLYOW-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.65
Rot. Bonds6

About 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914743) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914743
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)C(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-10(14(19)17-2)9-18(3)13(8-16)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3,(H,17,19)
InChIKeyFSCOBHJEHVLYOW-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 61429742
3-[1-(5-chloro-2-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400824
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
2-(4-chlorophenyl)-N-methyl-2-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 17468364
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206890
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
2-[[2-amino-1-(4-chlorophenyl)ethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921858
2-[1-(4-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63585189
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide (CID 106914743) is 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)C(CN)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FSCOBHJEHVLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(14(19)17-2)9-18(3)13(8-16)11-4-6-12(15)7-5-11/h4-7,10,13H,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 283.80 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(4-chlorophenyl)ethyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).