2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol

C12H16F2N2O — CID 102859499

IUPAC2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
SMILESNc1c(F)cc(F)cc1N(CCO)C1CCC1
InChIInChI=1S/C12H16F2N2O/c13-8-6-10(14)12(15)11(7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2
InChIKeyMOCZTNPGBYZOFF-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol

2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol (PubChem CID 102859499) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
PubChem CID102859499
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol
SMILESNc1c(F)cc(F)cc1N(CCO)C1CCC1
InChIInChI=1S/C12H16F2N2O/c13-8-6-10(14)12(15)11(7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2
InChIKeyMOCZTNPGBYZOFF-UHFFFAOYSA-N
XLogP1.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.90
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-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
2-(4-amino-N-cyclohexyl-2,6-difluoroanilino)ethanol
CID 54993772
2-[3-(aminomethyl)-N-cyclobutyl-5-fluoroanilino]ethanol
CID 102859732
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
3-(2-amino-N-cyclobutyl-3-fluoroanilino)propan-1-ol
CID 102859346
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
2-[2-[(1R)-1-aminoethyl]-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863551
2-[2-(1-aminoethyl)-N-cyclobutyl-4-fluoro-5-methylanilino]ethanol
CID 102863487
3-(4-amino-N-cyclobutyl-2-fluoroanilino)propan-1-ol
CID 102859257
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63672687
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol?
The IUPAC name of 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol (CID 102859499) is 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol is Nc1c(F)cc(F)cc1N(CCO)C1CCC1.
What is the InChIKey of 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol?
The InChIKey is MOCZTNPGBYZOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-8-6-10(14)12(15)11(7-8)16(4-5-17)9-2-1-3-9/h6-7,9,17H,1-5,15H2.
What are the key properties of 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol?
2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-cyclobutyl-3,5-difluoroanilino)ethanol is sourced from PubChem (CID 102859499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).