1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol

C15H22F3NO — CID 65190191

IUPAC1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-14(2,3)13(20)12(9-19)10-6-5-7-11(8-10)15(16,17)18/h5-8,12-13,20H,4,9,19H2,1-3H3
InChIKeyJTUOPQXZSPLPBD-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.54
Rot. Bonds5

About 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol (PubChem CID 65190191) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
PubChem CID65190191
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-14(2,3)13(20)12(9-19)10-6-5-7-11(8-10)15(16,17)18/h5-8,12-13,20H,4,9,19H2,1-3H3
InChIKeyJTUOPQXZSPLPBD-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
1-amino-6-methyl-2-[3-(trifluoromethyl)phenyl]heptan-3-ol
CID 65190701
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
3-amino-1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190498
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43295551
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol?
The IUPAC name of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol (CID 65190191) is 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol is CCC(C)(C)C(O)C(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol?
The InChIKey is JTUOPQXZSPLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-14(2,3)13(20)12(9-19)10-6-5-7-11(8-10)15(16,17)18/h5-8,12-13,20H,4,9,19H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol?
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol has a molecular weight of 289.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol is sourced from PubChem (CID 65190191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).