1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C15H20F3NO — CID 115846809

IUPAC1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)CC1CCOCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-11(2-4-13)9-14(19)10-12-5-7-20-8-6-12/h1-4,12,14H,5-10,19H2
InChIKeyABHURKBCWRKYML-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine

1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 115846809) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID115846809
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)CC1CCOCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-11(2-4-13)9-14(19)10-12-5-7-20-8-6-12/h1-4,12,14H,5-10,19H2
InChIKeyABHURKBCWRKYML-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 115846809) is 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine is NC(Cc1ccc(C(F)(F)F)cc1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ABHURKBCWRKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-11(2-4-13)9-14(19)10-12-5-7-20-8-6-12/h1-4,12,14H,5-10,19H2.
What are the key properties of 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 115846809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).