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

C15H18FNOS — CID 24713677

IUPAC1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C15H18FNOS/c1-12(18)8-17(10-14-6-7-19-11-14)9-13-2-4-15(16)5-3-13/h2-7,11-12,18H,8-10H2,1H3
InChIKeySOIQCFPWIDRETG-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.27
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 24713677) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID24713677
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccc(F)cc1)Cc1ccsc1
InChIInChI=1S/C15H18FNOS/c1-12(18)8-17(10-14-6-7-19-11-14)9-13-2-4-15(16)5-3-13/h2-7,11-12,18H,8-10H2,1H3
InChIKeySOIQCFPWIDRETG-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol (CID 24713677) is 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol is CC(O)CN(Cc1ccc(F)cc1)Cc1ccsc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is SOIQCFPWIDRETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-12(18)8-17(10-14-6-7-19-11-14)9-13-2-4-15(16)5-3-13/h2-7,11-12,18H,8-10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol?
1-[(4-fluorophenyl)methyl-(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 3.27, 6 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-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 24713677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).