1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol

C16H20FNOS — CID 46007798

IUPAC1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H20FNOS/c1-2-15(19)11-18(12-16-4-3-9-20-16)10-13-5-7-14(17)8-6-13/h3-9,15,19H,2,10-12H2,1H3
InChIKeyNSDFTBBXYNJQMW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.66
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol

1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol (PubChem CID 46007798) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol
PubChem CID46007798
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol
SMILESCCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H20FNOS/c1-2-15(19)11-18(12-16-4-3-9-20-16)10-13-5-7-14(17)8-6-13/h3-9,15,19H,2,10-12H2,1H3
InChIKeyNSDFTBBXYNJQMW-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-(N-((benzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202059
1-(4-fluorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 94897962
N-(tert-butylperoxymethyl)-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 44312355
Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 204558
Ethanol, 2-(((5-fluorobenzo(b)thien-3-yl)methyl)isopropylamino)-, hydrochloride
CID 205148
Ethanol, 2-(tert-butyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 205150
Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 205152
1,1,1-Trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
CID 2738524
2-[2-Hydroxyethyl-(2-phenyl-2-thiophen-2-ylethyl)amino]ethanol
CID 13822823
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
2-[4-(3,5-Difluorobenzyl)-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45171016
2-{[[1-(Hydroxymethyl)propyl](3-thienylmethyl)amino]methyl}benzonitrile
CID 46991635

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol (CID 46007798) is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol is CCC(O)CN(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol?
The InChIKey is NSDFTBBXYNJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-2-15(19)11-18(12-16-4-3-9-20-16)10-13-5-7-14(17)8-6-13/h3-9,15,19H,2,10-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol?
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 46007798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).