(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine

C16H16F3NO — CID 115533717

IUPAC(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCOc1ccccc1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-21-14-6-4-3-5-13(14)15(20)11-7-9-12(10-8-11)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyUIYNHTVCUMYLTP-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.15
Rot. Bonds4

About (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine

(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 115533717) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID115533717
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCCOc1ccccc1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO/c1-2-21-14-6-4-3-5-13(14)15(20)11-7-9-12(10-8-11)16(17,18)19/h3-10,15H,2,20H2,1H3
InChIKeyUIYNHTVCUMYLTP-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethoxyphenyl)-(4-ethoxyphenyl)methanamine
CID 43197136
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanamine
CID 115853675
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708459
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
2-(2-methoxyphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 117244544
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247121
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 115533717) is (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine is CCOc1ccccc1C(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UIYNHTVCUMYLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-21-14-6-4-3-5-13(14)15(20)11-7-9-12(10-8-11)16(17,18)19/h3-10,15H,2,20H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115533717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).