2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O2 — CID 115571273

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(CCNC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(13(20)19-9-14(15,16)17)18-8-7-11-3-5-12(21-2)6-4-11/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyPHTDRAKIGYQGEG-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.89
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115571273) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115571273
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1ccc(CCNC(C)C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-10(13(20)19-9-14(15,16)17)18-8-7-11-3-5-12(21-2)6-4-11/h3-6,10,18H,7-9H2,1-2H3,(H,19,20)
InChIKeyPHTDRAKIGYQGEG-UHFFFAOYSA-N
XLogP1.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
methyl 3-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 43536651
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115571273) is 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is COc1ccc(CCNC(C)C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PHTDRAKIGYQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-10(13(20)19-9-14(15,16)17)18-8-7-11-3-5-12(21-2)6-4-11/h3-6,10,18H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 304.31 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115571273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).