ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate

C18H19F3N2O3 — CID 118176672

IUPACethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)9-10-22-11-13-3-5-14(6-4-13)26-15-7-8-16(23-12-15)18(19,20)21/h3-8,12,22H,2,9-11H2,1H3
InChIKeyVDSWEFMIVLYXCP-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.94
Rot. Bonds8

About ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate

ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate (PubChem CID 118176672) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate
PubChem CID118176672
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Nameethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)CCNCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-2-25-17(24)9-10-22-11-13-3-5-14(6-4-13)26-15-7-8-16(23-12-15)18(19,20)21/h3-8,12,22H,2,9-11H2,1H3
InChIKeyVDSWEFMIVLYXCP-UHFFFAOYSA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]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

ethyl 3-[[6-(4-ethylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176696
ethyl 3-[[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]methylamino]propanoate
CID 118176664
ethyl 3-[(6-bromo-3-pyridinyl)methylamino]propanoate
CID 118176608
ethyl 3-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methylamino]propanoate
CID 118176702
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
CID 118176686
ethyl 4-oxo-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]butanoate
CID 82706361
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
ethyl 5-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]pentanoate
CID 161119875
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
4-[[(4-ethoxy-4-oxobutyl)amino]methyl]benzoic acid
CID 64578353

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate?
The IUPAC name of ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate (CID 118176672) is ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate is CCOC(=O)CCNCc1ccc(Oc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate?
The InChIKey is VDSWEFMIVLYXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-25-17(24)9-10-22-11-13-3-5-14(6-4-13)26-15-7-8-16(23-12-15)18(19,20)21/h3-8,12,22H,2,9-11H2,1H3.
What are the key properties of ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate?
ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate has a molecular weight of 368.36 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylamino]propanoate is sourced from PubChem (CID 118176672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).