2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol

C13H17F3N2O — CID 102859641

IUPAC2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)C2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-8-9(17)4-5-12(11)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7,17H2
InChIKeyCCZXIQBPKGYMHY-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.64
Rot. Bonds4

About 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol

2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol (PubChem CID 102859641) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
PubChem CID102859641
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
SMILESNc1ccc(N(CCO)C2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)11-8-9(17)4-5-12(11)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7,17H2
InChIKeyCCZXIQBPKGYMHY-UHFFFAOYSA-N
XLogP2.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 103286902
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
CID 102859499
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
ethyl 5-amino-2-[cyclopropyl(2-hydroxyethyl)amino]benzoate
CID 54995035

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol (CID 102859641) is 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol is Nc1ccc(N(CCO)C2CCC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol?
The InChIKey is CCZXIQBPKGYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)11-8-9(17)4-5-12(11)18(6-7-19)10-2-1-3-10/h4-5,8,10,19H,1-3,6-7,17H2.
What are the key properties of 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol?
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol has a molecular weight of 274.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol is sourced from PubChem (CID 102859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).