1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol

C13H20FNO2 — CID 113492017

IUPAC1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-10(16)8-15-9(2)12-6-5-11(17-3)7-13(12)14/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyYGTCFKCZTKAABW-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds6

About 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol

1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol (PubChem CID 113492017) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
PubChem CID113492017
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol
SMILESCCC(O)CNC(C)c1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-4-10(16)8-15-9(2)12-6-5-11(17-3)7-13(12)14/h5-7,9-10,15-16H,4,8H2,1-3H3
InChIKeyYGTCFKCZTKAABW-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 55108756
1,1,1-trifluoro-3-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103778620
4-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-1-methoxybutan-2-ol
CID 103906152
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 62993210
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol?
The IUPAC name of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol (CID 113492017) is 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol?
The canonical SMILES for 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol is CCC(O)CNC(C)c1ccc(OC)cc1F.
What is the InChIKey of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol?
The InChIKey is YGTCFKCZTKAABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-4-10(16)8-15-9(2)12-6-5-11(17-3)7-13(12)14/h5-7,9-10,15-16H,4,8H2,1-3H3.
What are the key properties of 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol?
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]butan-2-ol is sourced from PubChem (CID 113492017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).