2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol

C12H17FN2O — CID 102859536

IUPAC2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
SMILESNc1ccc(F)cc1N(CCO)C1CCC1
InChIInChI=1S/C12H17FN2O/c13-9-4-5-11(14)12(8-9)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2
InChIKeyUYXPQOMRBSWPAE-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol

2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol (PubChem CID 102859536) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
PubChem CID102859536
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
SMILESNc1ccc(F)cc1N(CCO)C1CCC1
InChIInChI=1S/C12H17FN2O/c13-9-4-5-11(14)12(8-9)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2
InChIKeyUYXPQOMRBSWPAE-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.76
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-3,5-difluoroanilino)ethanol
CID 102859499
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63672687
4-amino-3-[cyclohexyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 82900365
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
2-(2-amino-N-cyclopropyl-4-fluoro-5-methylanilino)ethanol
CID 103590173
2-[4-amino-N-cyclobutyl-2-(trifluoromethyl)anilino]ethanol
CID 102859641
4-amino-3-[cyclopropyl(2-hydroxyethyl)amino]-N,N-dimethylbenzamide
CID 63360938
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
2-(4-amino-N-cyclopentyl-2-iodoanilino)ethanol
CID 66095606
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol?
The IUPAC name of 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol (CID 102859536) is 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol is Nc1ccc(F)cc1N(CCO)C1CCC1.
What is the InChIKey of 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol?
The InChIKey is UYXPQOMRBSWPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-9-4-5-11(14)12(8-9)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2.
What are the key properties of 2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol?
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol has a molecular weight of 224.28 g/mol, XLogP of 1.76, 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-5-fluoroanilino)ethanol is sourced from PubChem (CID 102859536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).