1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol

C15H17F2NO2 — CID 110903423

IUPAC1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
SMILESCc1occc1CN(C)CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO2/c1-10-11(6-7-20-10)8-18(2)9-14(19)15-12(16)4-3-5-13(15)17/h3-7,14,19H,8-9H2,1-2H3
InChIKeyYBRJNXMCOWMSBT-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.03
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol

1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol (PubChem CID 110903423) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
PubChem CID110903423
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
SMILESCc1occc1CN(C)CC(O)c1c(F)cccc1F
InChIInChI=1S/C15H17F2NO2/c1-10-11(6-7-20-10)8-18(2)9-14(19)15-12(16)4-3-5-13(15)17/h3-7,14,19H,8-9H2,1-2H3
InChIKeyYBRJNXMCOWMSBT-UHFFFAOYSA-N
XLogP3.03
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanol
CID 61371435
1-(4-fluoro-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol
CID 111564990
4-[1-hydroxy-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]benzenecarbothioamide
CID 61426534
2-[1-(ethylamino)ethyl]-3-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 61426442
1-(2,6-difluorophenyl)-2-[(5-ethyl-1,3-thiazol-2-yl)methyl-methylamino]ethanol
CID 111614486
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
3,3,3-trifluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]propanethioamide
CID 103368587
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
1-N,4-dimethyl-1-N-[(2-methylfuran-3-yl)methyl]pentane-1,2-diamine
CID 61424459
1-chloro-3-[(2-fluorophenyl)methyl-methylamino]propan-2-ol
CID 112561326

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol (CID 110903423) is 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol is Cc1occc1CN(C)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
The InChIKey is YBRJNXMCOWMSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-10-11(6-7-20-10)8-18(2)9-14(19)15-12(16)4-3-5-13(15)17/h3-7,14,19H,8-9H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol has a molecular weight of 281.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 110903423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).