ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate

C19H21F3N2O3 — CID 97136488

IUPACethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-5-26-18(25)12(2)27-15-8-6-13(7-9-15)16-10-14(19(20,21)22)11-17(23-16)24(3)4/h6-12H,5H2,1-4H3/t12-/m1/s1
InChIKeyYMMORAHZWQSALA-GFCCVEGCSA-N
MW382.38 g/mol
LogP4.16
Rot. Bonds6

About ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate

ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate (PubChem CID 97136488) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
PubChem CID97136488
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Nameethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
SMILESCCOC(=O)[C@@H](C)Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1
InChIInChI=1S/C19H21F3N2O3/c1-5-26-18(25)12(2)27-15-8-6-13(7-9-15)16-10-14(19(20,21)22)11-17(23-16)24(3)4/h6-12H,5H2,1-4H3/t12-/m1/s1
InChIKeyYMMORAHZWQSALA-GFCCVEGCSA-N
XLogP4.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]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 2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
CID 71628107
2-[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
CID 71628745
ethyl N-[(E)-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-N-methylcarbamate
CID 91654845
(4-chlorophenyl) 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 71628229
(2R)-2-[4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoic acid
CID 97136587
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl 2-[2-[2-[[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624116
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
ethyl 2-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
CID 139719044
2,2,2-trifluoroethyl 2-(4-methylphenoxy)propanoate
CID 146526270

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The IUPAC name of ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate (CID 97136488) is ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate is CCOC(=O)[C@@H](C)Oc1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1.
What is the InChIKey of ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
The InChIKey is YMMORAHZWQSALA-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-5-26-18(25)12(2)27-15-8-6-13(7-9-15)16-10-14(19(20,21)22)11-17(23-16)24(3)4/h6-12H,5H2,1-4H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate?
ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate has a molecular weight of 382.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate is sourced from PubChem (CID 97136488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).