(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium

C19H24ClN2O3+ — CID 9136846

IUPAC(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H23ClN2O3/c1-13(19(23)21-16-7-5-6-8-18(16)25-4)22(2)12-14-11-15(20)9-10-17(14)24-3/h5-11,13H,12H2,1-4H3,(H,21,23)/p+1/t13-/m0/s1
InChIKeyDXIHZZAWXWXMIH-ZDUSSCGKSA-O
MW363.87 g/mol
LogP2.40
Rot. Bonds7

About (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium

(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9136846) has the molecular formula C19H24ClN2O3+ and a molecular weight of 363.87 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9136846
Molecular FormulaC19H24ClN2O3+
Molecular Weight363.87 g/mol
Exact Mass363.15
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C19H23ClN2O3/c1-13(19(23)21-16-7-5-6-8-18(16)25-4)22(2)12-14-11-15(20)9-10-17(14)24-3/h5-11,13H,12H2,1-4H3,(H,21,23)/p+1/t13-/m0/s1
InChIKeyDXIHZZAWXWXMIH-ZDUSSCGKSA-O
XLogP2.40
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2509122
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-methylazanium
CID 9136792
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(2,3-dimethoxyphenyl)methyl]-methylazanium
CID 2689916
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261322
(5-chloro-2-methoxyphenyl)methyl-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9136940
(5-bromo-2-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2438618
(2-methoxy-5-methylphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8805562
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514580
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 8805602
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
1,3-benzothiazol-2-ylmethyl-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 8802296
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054254

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium (CID 9136846) is (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium is COc1ccc(Cl)cc1C[NH+](C)[C@@H](C)C(=O)Nc1ccccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is DXIHZZAWXWXMIH-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H23ClN2O3/c1-13(19(23)21-16-7-5-6-8-18(16)25-4)22(2)12-14-11-15(20)9-10-17(14)24-3/h5-11,13H,12H2,1-4H3,(H,21,23)/p+1/t13-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium?
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 363.87 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9136846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).