2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol

C17H26FNO2 — CID 83036436

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCCC1(CC)CC(NCC(O)c2ccccc2F)CCO1
InChIInChI=1S/C17H26FNO2/c1-3-17(4-2)11-13(9-10-21-17)19-12-16(20)14-7-5-6-8-15(14)18/h5-8,13,16,19-20H,3-4,9-12H2,1-2H3
InChIKeyVDZWDAQINCESET-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.19
Rot. Bonds6

About 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol

2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 83036436) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID83036436
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol
SMILESCCC1(CC)CC(NCC(O)c2ccccc2F)CCO1
InChIInChI=1S/C17H26FNO2/c1-3-17(4-2)11-13(9-10-21-17)19-12-16(20)14-7-5-6-8-15(14)18/h5-8,13,16,19-20H,3-4,9-12H2,1-2H3
InChIKeyVDZWDAQINCESET-UHFFFAOYSA-N
XLogP3.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
CID 116789249
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
2-[(2,2-diethyloxan-4-yl)amino]-6-fluorobenzenecarbothioamide
CID 83036685
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
CID 83033168
1-(2,5-dichlorophenyl)-2-[(2,2-dimethyloxan-4-yl)amino]ethanol
CID 83033246
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
CID 113491063
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol (CID 83036436) is 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol is CCC1(CC)CC(NCC(O)c2ccccc2F)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is VDZWDAQINCESET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-17(4-2)11-13(9-10-21-17)19-12-16(20)14-7-5-6-8-15(14)18/h5-8,13,16,19-20H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol?
2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 295.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 83036436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).