[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine

C14H18F3NO2 — CID 62383274

IUPAC[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(OCC2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)13-7-12(2-1-11(13)8-18)20-9-10-3-5-19-6-4-10/h1-2,7,10H,3-6,8-9,18H2
InChIKeyAVCWTLRGNOEKMM-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.97
Rot. Bonds4

About [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine

[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 62383274) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
PubChem CID62383274
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(OCC2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)13-7-12(2-1-11(13)8-18)20-9-10-3-5-19-6-4-10/h1-2,7,10H,3-6,8-9,18H2
InChIKeyAVCWTLRGNOEKMM-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine (CID 62383274) is [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine is NCc1ccc(OCC2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is AVCWTLRGNOEKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)13-7-12(2-1-11(13)8-18)20-9-10-3-5-19-6-4-10/h1-2,7,10H,3-6,8-9,18H2.
What are the key properties of [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine?
[4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-ylmethoxy)-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 62383274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).