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

C18H22N2O2 — CID 91249652

IUPACethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(-c2cccc(NC)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18(21)17(19)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)20-2/h4-10,12,17,20H,3,11,19H2,1-2H3
InChIKeyUSITVLVLZDMMQE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.83
Rot. Bonds6

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

ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate (PubChem CID 91249652) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
PubChem CID91249652
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(-c2cccc(NC)c2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18(21)17(19)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)20-2/h4-10,12,17,20H,3,11,19H2,1-2H3
InChIKeyUSITVLVLZDMMQE-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl 2-amino-3-[3-(3,4-dimethylphenyl)phenyl]propanoate
CID 170885611
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
ethyl 2-amino-3-[3-(3,5-dimethylphenyl)phenyl]propanoate
CID 170885045
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
ethyl 2-amino-3-(4-thiophen-2-ylphenyl)propanoate;hydrochloride
CID 174360592
ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
CID 170885824
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl (2E)-2-[[4-[3-(methylamino)phenyl]phenyl]methylidene]pentanoate
CID 68957414
methyl (2S)-2-(cyclopropylmethoxy)-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 67304613

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate (CID 91249652) is ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(-c2cccc(NC)c2)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate?
The InChIKey is USITVLVLZDMMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-18(21)17(19)11-13-7-9-14(10-8-13)15-5-4-6-16(12-15)20-2/h4-10,12,17,20H,3,11,19H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate?
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate has a molecular weight of 298.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate is sourced from PubChem (CID 91249652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).