[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium

C19H24ClN2O3+ — CID 9307272

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-13(15-6-4-5-7-16(15)20)21-12-19(23)22-11-14-8-9-17(24-2)18(10-14)25-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1
InChIKeyWWPAORBOZQSTHZ-ZDUSSCGKSA-O
MW363.87 g/mol
LogP2.30
Rot. Bonds8

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9307272) has the molecular formula C19H24ClN2O3+ and a molecular weight of 363.87 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9307272
Molecular FormulaC19H24ClN2O3+
Molecular Weight363.87 g/mol
Exact Mass363.15
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1OC
InChIInChI=1S/C19H23ClN2O3/c1-13(15-6-4-5-7-16(15)20)21-12-19(23)22-11-14-8-9-17(24-2)18(10-14)25-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1
InChIKeyWWPAORBOZQSTHZ-ZDUSSCGKSA-O
XLogP2.30
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]azanium
CID 8598976
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
[(1S)-1-(furan-2-yl)ethyl]-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8922456
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9253909
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 9307031
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
[(1R)-1-(2-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9306915
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9307131

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 9307272) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium is COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)cc1OC.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is WWPAORBOZQSTHZ-ZDUSSCGKSA-O. The full InChI is InChI=1S/C19H23ClN2O3/c1-13(15-6-4-5-7-16(15)20)21-12-19(23)22-11-14-8-9-17(24-2)18(10-14)25-3/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)/p+1/t13-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 363.87 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9307272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).