1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol

C14H19F2NO2 — CID 103910298

IUPAC1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C14H19F2NO2/c1-9-6-11(4-5-19-9)17-8-14(18)10-2-3-12(15)13(16)7-10/h2-3,7,9,11,14,17-18H,4-6,8H2,1H3
InChIKeyKHSPYOTURBQHGW-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.16
Rot. Bonds4

About 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol

1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol (PubChem CID 103910298) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol
PubChem CID103910298
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol
SMILESCC1CC(NCC(O)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C14H19F2NO2/c1-9-6-11(4-5-19-9)17-8-14(18)10-2-3-12(15)13(16)7-10/h2-3,7,9,11,14,17-18H,4-6,8H2,1H3
InChIKeyKHSPYOTURBQHGW-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-chloro-3-fluorophenyl)-2-(oxan-4-ylamino)ethanol
CID 97328969
3-[(2-methyloxan-4-yl)amino]propane-1,2-diol
CID 66177607
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanol
CID 114826691
1-[(2-methyloxan-4-yl)amino]pentan-2-ol
CID 115898430
1-[(2-methyloxan-4-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 114107829
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol (CID 103910298) is 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol is CC1CC(NCC(O)c2ccc(F)c(F)c2)CCO1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol?
The InChIKey is KHSPYOTURBQHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9-6-11(4-5-19-9)17-8-14(18)10-2-3-12(15)13(16)7-10/h2-3,7,9,11,14,17-18H,4-6,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol?
1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol is sourced from PubChem (CID 103910298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).