2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol

C16H25FN2O — CID 102863558

IUPAC2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
SMILESCCNC(C)c1cc(F)ccc1N(CCO)C1CCC1
InChIInChI=1S/C16H25FN2O/c1-3-18-12(2)15-11-13(17)7-8-16(15)19(9-10-20)14-5-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3
InChIKeySLSVAXSSHSXYKV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.85
Rot. Bonds7

About 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol

2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol (PubChem CID 102863558) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
PubChem CID102863558
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
SMILESCCNC(C)c1cc(F)ccc1N(CCO)C1CCC1
InChIInChI=1S/C16H25FN2O/c1-3-18-12(2)15-11-13(17)7-8-16(15)19(9-10-20)14-5-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3
InChIKeySLSVAXSSHSXYKV-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 63533131
N-butyl-N-cyclopropyl-4-fluoro-2-[1-(methylamino)ethyl]aniline
CID 61441356
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
CID 102863395
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-[N-ethyl-4-fluoro-2-[1-(propylamino)ethyl]anilino]ethanol
CID 54879809
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
CID 54994152
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The IUPAC name of 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol (CID 102863558) is 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol.
What is the SMILES notation for 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The canonical SMILES for 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol is CCNC(C)c1cc(F)ccc1N(CCO)C1CCC1.
What is the InChIKey of 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
The InChIKey is SLSVAXSSHSXYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-18-12(2)15-11-13(17)7-8-16(15)19(9-10-20)14-5-4-6-14/h7-8,11-12,14,18,20H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol?
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol is sourced from PubChem (CID 102863558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).