1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

C15H20F3NO2 — CID 63320730

IUPAC1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-10(19)6-11-2-3-14(13(7-11)15(16,17)18)21-9-12-4-5-20-8-12/h2-3,7,10,12H,4-6,8-9,19H2,1H3
InChIKeyDNPSRRPNUJKNIT-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine

1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 63320730) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID63320730
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCC2CCOC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-10(19)6-11-2-3-14(13(7-11)15(16,17)18)21-9-12-4-5-20-8-12/h2-3,7,10,12H,4-6,8-9,19H2,1H3
InChIKeyDNPSRRPNUJKNIT-UHFFFAOYSA-N
XLogP3.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine (CID 63320730) is 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is CC(N)Cc1ccc(OCC2CCOC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is DNPSRRPNUJKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(19)6-11-2-3-14(13(7-11)15(16,17)18)21-9-12-4-5-20-8-12/h2-3,7,10,12H,4-6,8-9,19H2,1H3.
What are the key properties of 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine?
1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 303.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 63320730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).