3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol

C14H19F3N2O — CID 102859413

IUPAC3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
SMILESNc1ccc(N(CCCO)C2CCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-9-11(5-6-13(12)18)19(7-2-8-20)10-3-1-4-10/h5-6,9-10,20H,1-4,7-8,18H2
InChIKeyZLBJDFUBYCVQPF-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.03
Rot. Bonds5

About 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol

3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol (PubChem CID 102859413) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
PubChem CID102859413
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol
SMILESNc1ccc(N(CCCO)C2CCC2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-9-11(5-6-13(12)18)19(7-2-8-20)10-3-1-4-10/h5-6,9-10,20H,1-4,7-8,18H2
InChIKeyZLBJDFUBYCVQPF-UHFFFAOYSA-N
XLogP3.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.03
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-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
4-[cyclobutyl(3-hydroxypropyl)amino]benzenecarbothioamide
CID 102862592
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
4-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 102862865
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
4-[butyl(cyclopropyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61443340
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-[2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]phenyl]acetonitrile
CID 102624116

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol?
The IUPAC name of 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol (CID 102859413) is 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol.
What is the SMILES notation for 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol?
The canonical SMILES for 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol is Nc1ccc(N(CCCO)C2CCC2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol?
The InChIKey is ZLBJDFUBYCVQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-9-11(5-6-13(12)18)19(7-2-8-20)10-3-1-4-10/h5-6,9-10,20H,1-4,7-8,18H2.
What are the key properties of 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol?
3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-N-cyclobutyl-3-(trifluoromethyl)anilino]propan-1-ol is sourced from PubChem (CID 102859413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).