(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine

C14H18F3NO2 — CID 80685342

IUPAC(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C(N)c2cccc(OC(F)(F)F)c2)CCCCO1
InChIInChI=1S/C14H18F3NO2/c1-13(7-2-3-8-19-13)12(18)10-5-4-6-11(9-10)20-14(15,16)17/h4-6,9,12H,2-3,7-8,18H2,1H3
InChIKeyJGDWQGGIXKXZJO-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.54
Rot. Bonds3

About (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine

(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 80685342) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID80685342
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCC1(C(N)c2cccc(OC(F)(F)F)c2)CCCCO1
InChIInChI=1S/C14H18F3NO2/c1-13(7-2-3-8-19-13)12(18)10-5-4-6-11(9-10)20-14(15,16)17/h4-6,9,12H,2-3,7-8,18H2,1H3
InChIKeyJGDWQGGIXKXZJO-UHFFFAOYSA-N
XLogP3.54
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 80685342) is (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine is CC1(C(N)c2cccc(OC(F)(F)F)c2)CCCCO1.
What is the InChIKey of (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is JGDWQGGIXKXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(7-2-3-8-19-13)12(18)10-5-4-6-11(9-10)20-14(15,16)17/h4-6,9,12H,2-3,7-8,18H2,1H3.
What are the key properties of (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine?
(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 80685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).