1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol

C14H21F3N2O — CID 106284327

IUPAC1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-9(4-2)13(20)8-19-12-6-5-10(18)7-11(12)14(15,16)17/h5-7,9,13,19-20H,3-4,8,18H2,1-2H3
InChIKeyCIHJZQFXOWCDNO-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.50
Rot. Bonds6

About 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol

1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol (PubChem CID 106284327) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
PubChem CID106284327
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-3-9(4-2)13(20)8-19-12-6-5-10(18)7-11(12)14(15,16)17/h5-7,9,13,19-20H,3-4,8,18H2,1-2H3
InChIKeyCIHJZQFXOWCDNO-UHFFFAOYSA-N
XLogP3.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
3-ethyl-1-[2-(trifluoromethyl)anilino]pentan-2-ol
CID 106287816
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
2-[4-amino-2-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62524303
1-(2-amino-5-fluoroanilino)-3-ethylpentan-2-ol
CID 106284328
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
1-N-(2-methyl-2-methylsulfanylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 113478588
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol (CID 106284327) is 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol?
The InChIKey is CIHJZQFXOWCDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-9(4-2)13(20)8-19-12-6-5-10(18)7-11(12)14(15,16)17/h5-7,9,13,19-20H,3-4,8,18H2,1-2H3.
What are the key properties of 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol?
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol has a molecular weight of 290.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).