(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C15H15F3N2O — CID 102708459

IUPAC(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCOc1ccccc1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-21-13-6-4-3-5-10(13)14(19)11-9-20-8-7-12(11)15(16,17)18/h3-9,14H,2,19H2,1H3
InChIKeyHITSRMOQVWJBLH-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.55
Rot. Bonds4

About (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine

(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708459) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708459
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCOc1ccccc1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c1-2-21-13-6-4-3-5-10(13)14(19)11-9-20-8-7-12(11)15(16,17)18/h3-9,14H,2,19H2,1H3
InChIKeyHITSRMOQVWJBLH-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(2-ethoxyphenyl)-pyrazin-2-ylmethanamine
CID 62801551
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(2-ethoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115533717
pyridin-3-yl-[2-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 70393208
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(4-propylthiadiazol-5-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709870
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708459) is (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CCOc1ccccc1C(N)c1cnccc1C(F)(F)F.
What is the InChIKey of (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is HITSRMOQVWJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-21-13-6-4-3-5-10(13)14(19)11-9-20-8-7-12(11)15(16,17)18/h3-9,14H,2,19H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
(2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 296.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).