ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate

C15H20FNO2 — CID 61498267

IUPACethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-11,14,17H,3-5H2,1-2H3
InChIKeyAKDSGTKYEDTBQE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.82
Rot. Bonds6

About ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate

ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate (PubChem CID 61498267) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
PubChem CID61498267
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-11,14,17H,3-5H2,1-2H3
InChIKeyAKDSGTKYEDTBQE-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate 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 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-4-methylpentanoate
CID 43782293
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-methylbutanamide
CID 106344221
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,4-dimethylpentanamide
CID 43792190
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate?
The IUPAC name of ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate (CID 61498267) is ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate is CCOC(=O)C(C)NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate?
The InChIKey is AKDSGTKYEDTBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-15(18)10(2)17-14(11-4-5-11)12-6-8-13(16)9-7-12/h6-11,14,17H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate?
ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate has a molecular weight of 265.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate is sourced from PubChem (CID 61498267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).