1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

C16H20FNOS — CID 79486832

IUPAC1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccccc1F
InChIInChI=1S/C16H20FNOS/c1-18(10-8-13-5-4-12-20-13)11-9-16(19)14-6-2-3-7-15(14)17/h2-7,12,16,19H,8-11H2,1H3
InChIKeyFNKGHLBBXCGFHA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol

1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (PubChem CID 79486832) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
PubChem CID79486832
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
SMILESCN(CCc1cccs1)CCC(O)c1ccccc1F
InChIInChI=1S/C16H20FNOS/c1-18(10-8-13-5-4-12-20-13)11-9-16(19)14-6-2-3-7-15(14)17/h2-7,12,16,19H,8-11H2,1H3
InChIKeyFNKGHLBBXCGFHA-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(4-bromo-2-chlorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 82776938
1-(2-fluorophenyl)-2-thiophen-2-ylethanol
CID 62501519
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol (CID 79486832) is 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is CN(CCc1cccs1)CCC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
The InChIKey is FNKGHLBBXCGFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-18(10-8-13-5-4-12-20-13)11-9-16(19)14-6-2-3-7-15(14)17/h2-7,12,16,19H,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol is sourced from PubChem (CID 79486832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).