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

C14H18F3NO — CID 63013844

IUPAC1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C1CCCOC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-10(4-6-12)8-13(18)11-2-1-7-19-9-11/h3-6,11,13H,1-2,7-9,18H2
InChIKeyJQQKPXYQQSFRHI-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.00
Rot. Bonds3

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

1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 63013844) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID63013844
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C1CCCOC1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-10(4-6-12)8-13(18)11-2-1-7-19-9-11/h3-6,11,13H,1-2,7-9,18H2
InChIKeyJQQKPXYQQSFRHI-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 63013844) is 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is NC(Cc1ccc(C(F)(F)F)cc1)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is JQQKPXYQQSFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-5-3-10(4-6-12)8-13(18)11-2-1-7-19-9-11/h3-6,11,13H,1-2,7-9,18H2.
What are the key properties of 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 63013844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).