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

C14H20FNO2 — CID 113491063

IUPAC1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
SMILESCC1(NCC(O)c2ccccc2F)CCOCC1
InChIInChI=1S/C14H20FNO2/c1-14(6-8-18-9-7-14)16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16-17H,6-10H2,1H3
InChIKeyURMVBVPHIDTLCA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.02
Rot. Bonds4

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

1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol (PubChem CID 113491063) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
PubChem CID113491063
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol
SMILESCC1(NCC(O)c2ccccc2F)CCOCC1
InChIInChI=1S/C14H20FNO2/c1-14(6-8-18-9-7-14)16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16-17H,6-10H2,1H3
InChIKeyURMVBVPHIDTLCA-UHFFFAOYSA-N
XLogP2.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-[(4-pyrimidin-2-yloxan-4-yl)amino]ethanol
CID 146139702
1-(2-fluorophenyl)-2-[(1-methylcyclopropyl)methylamino]ethanol
CID 107165971
N-[(2,6-difluorophenyl)methyl]-4-methyloxan-4-amine
CID 113491017
4-methyl-N-[(2S)-2-phenylpropyl]oxan-4-amine
CID 124616999
1-(2-fluorophenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]ethanol
CID 79358145
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
CID 75437455
2-[[1-(dimethylamino)cyclobutyl]methylamino]-1-(2-fluorophenyl)ethanol
CID 105416434
3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
(2S)-3-[(4-methyloxan-4-yl)amino]propane-1,2-diol
CID 104866602
(2S)-2-[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97334468
(3S)-N-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylpyrrolidine-3-carboxamide
CID 125135269

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol (CID 113491063) is 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol is CC1(NCC(O)c2ccccc2F)CCOCC1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol?
The InChIKey is URMVBVPHIDTLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-14(6-8-18-9-7-14)16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16-17H,6-10H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(4-methyloxan-4-yl)amino]ethanol is sourced from PubChem (CID 113491063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).