5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol

C14H21F3N2O — CID 106141163

IUPAC5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-13(2,6-3-7-20)9-19-10-4-5-12(18)11(8-10)14(15,16)17/h4-5,8,19-20H,3,6-7,9,18H2,1-2H3
InChIKeyZXFGINQHUQMCMU-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.50
Rot. Bonds6

About 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol

5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol (PubChem CID 106141163) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
PubChem CID106141163
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H21F3N2O/c1-13(2,6-3-7-20)9-19-10-4-5-12(18)11(8-10)14(15,16)17/h4-5,8,19-20H,3,6-7,9,18H2,1-2H3
InChIKeyZXFGINQHUQMCMU-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

5-(4-amino-3-methylanilino)-4,4-dimethylpentan-1-ol
CID 106141231
4-(4-amino-3-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140683
5-[4-bromo-2-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol
CID 106145068
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475
2-[4-amino-3-(trifluoromethyl)anilino]-2-ethylbutan-1-ol
CID 62523635
tert-butyl N-[3-[4-amino-3-(trifluoromethyl)anilino]propyl]carbamate
CID 104932863
2-(trifluoromethyl)-4-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,4-diamine
CID 106426395
2-bromo-4-[(5-hydroxy-2,2-dimethylpentyl)amino]benzoic acid
CID 106149542
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
4,4-dimethyl-5-(4-methyl-3-nitroanilino)pentan-1-ol
CID 106145258
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 103965395

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol (CID 106141163) is 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol?
The InChIKey is ZXFGINQHUQMCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(2,6-3-7-20)9-19-10-4-5-12(18)11(8-10)14(15,16)17/h4-5,8,19-20H,3,6-7,9,18H2,1-2H3.
What are the key properties of 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol?
5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-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 5-[4-amino-3-(trifluoromethyl)anilino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).