(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide

C15H23ClN2O3 — CID 95126134

IUPAC(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(Cl)cc(CN(C)[C@@H](C)C(=O)N(C)C)c1OC
InChIInChI=1S/C15H23ClN2O3/c1-10(15(19)17(2)3)18(4)9-11-7-12(16)8-13(20-5)14(11)21-6/h7-8,10H,9H2,1-6H3/t10-/m0/s1
InChIKeyYISFYLNPJNWFAN-JTQLQIEISA-N
MW314.81 g/mol
LogP2.27
Rot. Bonds6

About (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide

(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 95126134) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID95126134
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(Cl)cc(CN(C)[C@@H](C)C(=O)N(C)C)c1OC
InChIInChI=1S/C15H23ClN2O3/c1-10(15(19)17(2)3)18(4)9-11-7-12(16)8-13(20-5)14(11)21-6/h7-8,10H,9H2,1-6H3/t10-/m0/s1
InChIKeyYISFYLNPJNWFAN-JTQLQIEISA-N
XLogP2.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
2-[2-(2-aminoethyl)-4-chloro-6-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 104666718
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78820444
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117395312
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)-N-methylcyclopropan-1-amine
CID 77092875
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56718302
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide (CID 95126134) is (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide is COc1cc(Cl)cc(CN(C)[C@@H](C)C(=O)N(C)C)c1OC.
What is the InChIKey of (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is YISFYLNPJNWFAN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(15(19)17(2)3)18(4)9-11-7-12(16)8-13(20-5)14(11)21-6/h7-8,10H,9H2,1-6H3/t10-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide?
(2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 314.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).