2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol

C16H24FNO2 — CID 111565145

IUPAC2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCCN(CC1CCCO1)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C16H24FNO2/c1-3-18(10-14-5-4-8-20-14)11-16(19)15-7-6-13(17)9-12(15)2/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3
InChIKeyKFSSPHOJXBDAEK-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.67
Rot. Bonds6

About 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol

2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 111565145) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID111565145
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCCN(CC1CCCO1)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C16H24FNO2/c1-3-18(10-14-5-4-8-20-14)11-16(19)15-7-6-13(17)9-12(15)2/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3
InChIKeyKFSSPHOJXBDAEK-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]ethanol
CID 110898634
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-fluoroaniline
CID 61433507
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
N-[(2-bromo-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646762
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617
cyclopentyl-(4-fluoro-2-methylphenyl)methanol
CID 62789449
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol (CID 111565145) is 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol is CCN(CC1CCCO1)CC(O)c1ccc(F)cc1C.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is KFSSPHOJXBDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-18(10-14-5-4-8-20-14)11-16(19)15-7-6-13(17)9-12(15)2/h6-7,9,14,16,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol?
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 281.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 111565145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).