2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

C17H20FNO2 — CID 78966130

IUPAC2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2ccccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-12(15-8-3-4-9-16(15)18)19-11-17(20)13-6-5-7-14(10-13)21-2/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyHLUQNVDNEBHDTE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol

2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 78966130) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID78966130
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNC(C)c2ccccc2F)c1
InChIInChI=1S/C17H20FNO2/c1-12(15-8-3-4-9-16(15)18)19-11-17(20)13-6-5-7-14(10-13)21-2/h3-10,12,17,19-20H,11H2,1-2H3
InChIKeyHLUQNVDNEBHDTE-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxy-5-methylphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382243
2-[1-(4-chlorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 78966129
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81133562
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
2-[1-(4-ethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)ethanol
CID 111382254
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
1-(3-methoxyphenyl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
CID 103782967
2-[(2-hydroxy-1-phenylethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81134314
2-[4-(dimethylamino)butan-2-ylamino]-1-(3-methoxyphenyl)ethanol
CID 81134021

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol (CID 78966130) is 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNC(C)c2ccccc2F)c1.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is HLUQNVDNEBHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(15-8-3-4-9-16(15)18)19-11-17(20)13-6-5-7-14(10-13)21-2/h3-10,12,17,19-20H,11H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 289.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 78966130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).