3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine

C15H22F3NO — CID 115854063

IUPAC3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
SMILESCC(CC(N)c1cccc(OC(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-10(14(2,3)4)8-13(19)11-6-5-7-12(9-11)20-15(16,17)18/h5-7,9-10,13H,8,19H2,1-4H3
InChIKeyIKENHBCPDHRVMR-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.66
Rot. Bonds4

About 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine

3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine (PubChem CID 115854063) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
PubChem CID115854063
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
SMILESCC(CC(N)c1cccc(OC(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H22F3NO/c1-10(14(2,3)4)8-13(19)11-6-5-7-12(9-11)20-15(16,17)18/h5-7,9-10,13H,8,19H2,1-4H3
InChIKeyIKENHBCPDHRVMR-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 105018666
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
2-[fluoro-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443824

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine?
The IUPAC name of 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine (CID 115854063) is 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine.
What is the SMILES notation for 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine?
The canonical SMILES for 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine is CC(CC(N)c1cccc(OC(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine?
The InChIKey is IKENHBCPDHRVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10(14(2,3)4)8-13(19)11-6-5-7-12(9-11)20-15(16,17)18/h5-7,9-10,13H,8,19H2,1-4H3.
What are the key properties of 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine?
3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine is sourced from PubChem (CID 115854063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).