ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate

C18H19F3N2O3 — CID 118176629

IUPACethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-3-25-17(24)12(2)22-10-13-4-7-15(8-5-13)26-16-9-6-14(11-23-16)18(19,20)21/h4-9,11-12,22H,3,10H2,1-2H3
InChIKeyAYRLNUFZSPOHPV-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.93
Rot. Bonds7

About ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate

ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate (PubChem CID 118176629) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
PubChem CID118176629
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Nameethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-3-25-17(24)12(2)22-10-13-4-7-15(8-5-13)26-16-9-6-14(11-23-16)18(19,20)21/h4-9,11-12,22H,3,10H2,1-2H3
InChIKeyAYRLNUFZSPOHPV-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176606
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
ethyl (Z)-3-(ethylamino)-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pent-2-enoate
CID 70489776
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
diethoxyphosphorylmethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
CID 13325076
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
N-(diethoxyphosphorylmethyl)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 14030482

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The IUPAC name of ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate (CID 118176629) is ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate.
What is the SMILES notation for ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The canonical SMILES for ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate is CCOC(=O)C(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The InChIKey is AYRLNUFZSPOHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-3-25-17(24)12(2)22-10-13-4-7-15(8-5-13)26-16-9-6-14(11-23-16)18(19,20)21/h4-9,11-12,22H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate has a molecular weight of 368.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate is sourced from PubChem (CID 118176629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).