(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine

C15H20F3NO2 — CID 116765461

IUPAC(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOC1(C(N)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H20F3NO2/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13H,2,6-9,19H2,1H3
InChIKeyXUJQXAXRKJXJES-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.29
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 116765461) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID116765461
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOC1(C(N)c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C15H20F3NO2/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13H,2,6-9,19H2,1H3
InChIKeyXUJQXAXRKJXJES-UHFFFAOYSA-N
XLogP3.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 116754328
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
(1-methoxycyclobutyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116714051
(1-ethoxycyclopentyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102755265
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116749027
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
ethyl 3-[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]propanoate
CID 66685195
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-propyl-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 115792392

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine (CID 116765461) is (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine is CCOC1(C(N)c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XUJQXAXRKJXJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-21-14(6-8-20-9-7-14)13(19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,13H,2,6-9,19H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine?
(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 116765461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).