5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine

C15H22F3NO — CID 103035753

IUPAC5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-14(2,20-3)8-7-13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,7-8,10,19H2,1-3H3
InChIKeyJLIILVXRQSFMML-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.78
Rot. Bonds6

About 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine

5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine (PubChem CID 103035753) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
PubChem CID103035753
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
SMILESCOC(C)(C)CCC(N)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-14(2,20-3)8-7-13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,7-8,10,19H2,1-3H3
InChIKeyJLIILVXRQSFMML-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine (CID 103035753) is 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine is COC(C)(C)CCC(N)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
The InChIKey is JLIILVXRQSFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-14(2,20-3)8-7-13(19)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,13H,7-8,10,19H2,1-3H3.
What are the key properties of 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine?
5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine is sourced from PubChem (CID 103035753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).