3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol

C14H20F3NO — CID 106287816

IUPAC3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-10(4-2)13(19)9-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,10,13,18-19H,3-4,9H2,1-2H3
InChIKeyWEWYPMXLJNBUEZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.91
Rot. Bonds6

About 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol

3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol (PubChem CID 106287816) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
PubChem CID106287816
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-3-10(4-2)13(19)9-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,10,13,18-19H,3-4,9H2,1-2H3
InChIKeyWEWYPMXLJNBUEZ-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)anilino]butan-2-ol
CID 60887085
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 62315286
3-[[2-(trifluoromethyl)anilino]methyl]pentanoic acid
CID 81067136
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
1-propan-2-yloxy-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898998
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-N-[2-(trifluoromethyl)phenyl]pentane-1,3-diamine
CID 113498113
1-(2-methoxyethoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106989058
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
(E)-4-[2-(trifluoromethyl)anilino]but-2-en-1-ol
CID 115038099
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol (CID 106287816) is 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol is CCC(CC)C(O)CNc1ccccc1C(F)(F)F.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol?
The InChIKey is WEWYPMXLJNBUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-10(4-2)13(19)9-18-12-8-6-5-7-11(12)14(15,16)17/h5-8,10,13,18-19H,3-4,9H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol?
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol has a molecular weight of 275.31 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol is sourced from PubChem (CID 106287816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).