2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine

C15H23F3N2O — CID 63320243

IUPAC2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESCCN(CC)CCOc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-20(4-2)9-10-21-14-6-5-12(7-8-19)11-13(14)15(16,17)18/h5-6,11H,3-4,7-10,19H2,1-2H3
InChIKeyBYTRCGQRGKVOPZ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.93
Rot. Bonds8

About 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine

2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63320243) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID63320243
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
SMILESCCN(CC)CCOc1ccc(CCN)cc1C(F)(F)F
InChIInChI=1S/C15H23F3N2O/c1-3-20(4-2)9-10-21-14-6-5-12(7-8-19)11-13(14)15(16,17)18/h5-6,11H,3-4,7-10,19H2,1-2H3
InChIKeyBYTRCGQRGKVOPZ-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-but-2-ynoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 63320376
2-[4-[(2S)-2-methoxypropoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 69293709
ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
CID 164576666
2-[4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl]ethanamine
CID 63320510
2-[4-[2-(dimethylamino)ethoxy]-3-methylphenyl]ethanamine;ethane
CID 145332218
[4-(3-ethoxypropoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 65175971
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine (CID 63320243) is 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine is CCN(CC)CCOc1ccc(CCN)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BYTRCGQRGKVOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-20(4-2)9-10-21-14-6-5-12(7-8-19)11-13(14)15(16,17)18/h5-6,11H,3-4,7-10,19H2,1-2H3.
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine?
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63320243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).