1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine

C14H19F4NO — CID 103031859

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-13(2,20-3)7-6-12(19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12H,6-7,19H2,1-3H3
InChIKeyVUCMRTUHIYHXCL-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.05
Rot. Bonds5

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031859) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
PubChem CID103031859
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F4NO/c1-13(2,20-3)7-6-12(19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12H,6-7,19H2,1-3H3
InChIKeyVUCMRTUHIYHXCL-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine (CID 103031859) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
The InChIKey is VUCMRTUHIYHXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-13(2,20-3)7-6-12(19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12H,6-7,19H2,1-3H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine has a molecular weight of 293.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).