2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C19H22F3NO2 — CID 68775083

IUPAC2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCOc1ccc(C(CN)c2ccc(C(F)(F)F)cc2)cc1OCC
InChIInChI=1S/C19H22F3NO2/c1-3-24-17-10-7-14(11-18(17)25-4-2)16(12-23)13-5-8-15(9-6-13)19(20,21)22/h5-11,16H,3-4,12,23H2,1-2H3
InChIKeyCCXYJUNJDQFRBL-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.59
Rot. Bonds7

About 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 68775083) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID68775083
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCCOc1ccc(C(CN)c2ccc(C(F)(F)F)cc2)cc1OCC
InChIInChI=1S/C19H22F3NO2/c1-3-24-17-10-7-14(11-18(17)25-4-2)16(12-23)13-5-8-15(9-6-13)19(20,21)22/h5-11,16H,3-4,12,23H2,1-2H3
InChIKeyCCXYJUNJDQFRBL-UHFFFAOYSA-N
XLogP4.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
(2R)-2-[[(3S)-3-(3,4-diethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 69046035
2-[1-(3,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83923547
(R)-(3,4-diethoxyphenyl)-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 97288341
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 68793479
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
4-(1-chloro-3,3,3-trifluoropropyl)-1,2-diethoxybenzene
CID 61084159
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
4-(1-bromo-2,2,3,3-tetrafluoropropyl)-1,2-diethoxybenzene
CID 79660552

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 68775083) is 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is CCOc1ccc(C(CN)c2ccc(C(F)(F)F)cc2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CCXYJUNJDQFRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2/c1-3-24-17-10-7-14(11-18(17)25-4-2)16(12-23)13-5-8-15(9-6-13)19(20,21)22/h5-11,16H,3-4,12,23H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 353.38 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 68775083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).