ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate

C18H19Cl2NO3 — CID 170885305

IUPACethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-23-18(22)16(21)9-12-5-3-4-6-17(12)24-11-13-7-8-14(19)10-15(13)20/h3-8,10,16H,2,9,11,21H2,1H3
InChIKeyCZXPVFMRQDWASG-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.01
Rot. Bonds7

About ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate

ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate (PubChem CID 170885305) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
PubChem CID170885305
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Nameethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H19Cl2NO3/c1-2-23-18(22)16(21)9-12-5-3-4-6-17(12)24-11-13-7-8-14(19)10-15(13)20/h3-8,10,16H,2,9,11,21H2,1H3
InChIKeyCZXPVFMRQDWASG-UHFFFAOYSA-N
XLogP4.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 60880694
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
ethyl 3-[2-[(2,4-dichlorophenyl)methoxy]-4-hydroxyphenyl]propanoate
CID 139988229
ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
CID 170885936
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate (CID 170885305) is ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate is CCOC(=O)C(N)Cc1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate?
The InChIKey is CZXPVFMRQDWASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-2-23-18(22)16(21)9-12-5-3-4-6-17(12)24-11-13-7-8-14(19)10-15(13)20/h3-8,10,16H,2,9,11,21H2,1H3.
What are the key properties of ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate?
ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate has a molecular weight of 368.26 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 170885305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).