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

C19H23NO4 — CID 170885510

IUPACethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)16(20)11-13-7-5-6-8-15(13)14-9-10-17(22-2)18(12-14)23-3/h5-10,12,16H,4,11,20H2,1-3H3
InChIKeyPTBWTHLRPJQSCC-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.80
Rot. Bonds7

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

ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate (PubChem CID 170885510) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
PubChem CID170885510
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccccc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(21)16(20)11-13-7-5-6-8-15(13)14-9-10-17(22-2)18(12-14)23-3/h5-10,12,16H,4,11,20H2,1-3H3
InChIKeyPTBWTHLRPJQSCC-UHFFFAOYSA-N
XLogP2.80
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl 2-amino-3-[2-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 170885673
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
CID 170885824
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
methyl (2S)-2-amino-3-[2-(2-ethylphenyl)phenyl]propanoate
CID 90931571
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate (CID 170885510) is ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate is CCOC(=O)C(N)Cc1ccccc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate?
The InChIKey is PTBWTHLRPJQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-19(21)16(20)11-13-7-5-6-8-15(13)14-9-10-17(22-2)18(12-14)23-3/h5-10,12,16H,4,11,20H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate?
ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate has a molecular weight of 329.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[2-(3,4-dimethoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 170885510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).