2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide

C14H19F3N2O2 — CID 63320637

IUPAC2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-3-19-13(20)9(2)21-12-5-4-10(6-7-18)8-11(12)14(15,16)17/h4-5,8-9H,3,6-7,18H2,1-2H3,(H,19,20)
InChIKeySTMQCIFXJAWGJI-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide

2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide (PubChem CID 63320637) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
PubChem CID63320637
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-3-19-13(20)9(2)21-12-5-4-10(6-7-18)8-11(12)14(15,16)17/h4-5,8-9H,3,6-7,18H2,1-2H3,(H,19,20)
InChIKeySTMQCIFXJAWGJI-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propylpropanamide
CID 61388884
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-[4-(hydroxymethyl)-2-(trifluoromethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 63320537
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-[1-(2-aminoethyl)naphthalen-2-yl]oxy-N-ethylpropanamide
CID 60906013

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide (CID 63320637) is 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1ccc(CCN)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide?
The InChIKey is STMQCIFXJAWGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-19-13(20)9(2)21-12-5-4-10(6-7-18)8-11(12)14(15,16)17/h4-5,8-9H,3,6-7,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide?
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide has a molecular weight of 304.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 63320637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).