methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate

C15H20FNO2 — CID 103239050

IUPACmethyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate
SMILESCC/C(=C/CNCCc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C15H20FNO2/c1-3-13(15(18)19-2)8-10-17-9-7-12-5-4-6-14(16)11-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3/b13-8-
InChIKeyAHZRJYAZNFBRDY-JYRVWZFOSA-N
MW265.33 g/mol
LogP2.47
Rot. Bonds7

About methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate

methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate (PubChem CID 103239050) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate
PubChem CID103239050
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate
SMILESCC/C(=C/CNCCc1cccc(F)c1)C(=O)OC
InChIInChI=1S/C15H20FNO2/c1-3-13(15(18)19-2)8-10-17-9-7-12-5-4-6-14(16)11-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3/b13-8-
InChIKeyAHZRJYAZNFBRDY-JYRVWZFOSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-4-[2-(3-fluorophenyl)ethylamino]-2-methylbut-2-enoate
CID 103239072
methyl 2-ethyl-4-(3-fluoro-N-methylanilino)but-2-enoate
CID 77101546
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
methyl (Z)-4-(2,3-difluoroanilino)-2-ethylbut-2-enoate
CID 103242673
methyl 2-[[2-(3-fluorophenyl)ethylamino]methyl]-3-methylbutanoate
CID 115253437
6-(3-fluorophenyl)hexan-3-one
CID 64521140
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
4-[2-(3-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 115220897
ethyl 2-[2-(3-fluorophenyl)ethylamino]propanoate
CID 55134787
methyl 2-ethyl-4-[3-(methoxymethyl)phenoxy]but-2-enoate
CID 77101360

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate (CID 103239050) is methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate is CC/C(=C/CNCCc1cccc(F)c1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate?
The InChIKey is AHZRJYAZNFBRDY-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-13(15(18)19-2)8-10-17-9-7-12-5-4-6-14(16)11-12/h4-6,8,11,17H,3,7,9-10H2,1-2H3/b13-8-.
What are the key properties of methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate?
methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate has a molecular weight of 265.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[2-(3-fluorophenyl)ethylamino]but-2-enoate is sourced from PubChem (CID 103239050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).