1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol

C21H22FNOS — CID 46007794

IUPAC1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C21H22FNOS/c22-19-10-8-18(9-11-19)14-23(16-21-7-4-12-25-21)15-20(24)13-17-5-2-1-3-6-17/h1-12,20,24H,13-16H2
InChIKeyLJEGPUZDNPDPNR-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.49
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol

1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol (PubChem CID 46007794) has the molecular formula C21H22FNOS and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
PubChem CID46007794
Molecular FormulaC21H22FNOS
Molecular Weight355.48 g/mol
Exact Mass355.14
IUPAC Name1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C21H22FNOS/c22-19-10-8-18(9-11-19)14-23(16-21-7-4-12-25-21)15-20(24)13-17-5-2-1-3-6-17/h1-12,20,24H,13-16H2
InChIKeyLJEGPUZDNPDPNR-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-hydroxy-2-phenylethyl)-, monohydrochloride
CID 3041278
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((1-methyl-2-hydroxy-2-phenyl)ethyl)-, monohydrochloride
CID 3041290
Ethanol, 2-(benzyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 205152
Pyrrolidinium, 2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-1-(2-thienylmethyl)-, iodide
CID 3061839
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
3-(Dimethylamino)-1-phenyl-1-thiophen-2-ylpropan-2-ol
CID 12549101
2-[Benzyl(3-thienylmethyl)amino]ethanol
CID 23910978
(3S*,4S*)-4-(4-fluorophenyl)-1-{[5-(3-hydroxy-3-methylbut-1-yn-1-yl)-2-thienyl]methyl}piperidin-3-ol
CID 50960721
1-(Dibenzylamino)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 70690597
1-(Dibenzylamino)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 70696827
(3S*,4R*)-1-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzyl]-4-(3-methyl-2-thienyl)piperidin-3-ol
CID 50958021

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol (CID 46007794) is 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is LJEGPUZDNPDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNOS/c22-19-10-8-18(9-11-19)14-23(16-21-7-4-12-25-21)15-20(24)13-17-5-2-1-3-6-17/h1-12,20,24H,13-16H2.
What are the key properties of 1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
1-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 355.48 g/mol, XLogP of 4.49, 8 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]-3-phenylpropan-2-ol is sourced from PubChem (CID 46007794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).