(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

C13H19ClN2O2 — CID 9137098

IUPAC(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-9(13(17)15-2)16(3)8-10-7-11(14)5-6-12(10)18-4/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyCVNQCQQWUMWUHG-VIFPVBQESA-N
MW270.76 g/mol
LogP1.91
Rot. Bonds5

About (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 9137098) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID9137098
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(C)Cc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-9(13(17)15-2)16(3)8-10-7-11(14)5-6-12(10)18-4/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1
InChIKeyCVNQCQQWUMWUHG-VIFPVBQESA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78821316
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78820444
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60699813
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694700
(2R)-N-(2,5-dichlorophenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 2689350
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 62639812
(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 52519987
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8746938
(2S)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 8694047
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8805633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 9137098) is (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)[C@H](C)N(C)Cc1cc(Cl)ccc1OC.
What is the InChIKey of (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is CVNQCQQWUMWUHG-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(13(17)15-2)16(3)8-10-7-11(14)5-6-12(10)18-4/h5-7,9H,8H2,1-4H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 9137098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).