1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

C16H20FNOS — CID 24713508

IUPAC1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(C)O)s1
InChIInChI=1S/C16H20FNOS/c1-12(19)9-18(11-16-8-3-13(2)20-16)10-14-4-6-15(17)7-5-14/h3-8,12,19H,9-11H2,1-2H3
InChIKeyNOKHHCCRHIPJAM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.58
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol

1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 24713508) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID24713508
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(F)cc2)CC(C)O)s1
InChIInChI=1S/C16H20FNOS/c1-12(19)9-18(11-16-8-3-13(2)20-16)10-14-4-6-15(17)7-5-14/h3-8,12,19H,9-11H2,1-2H3
InChIKeyNOKHHCCRHIPJAM-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.58
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-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 24713508) is 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccc(CN(Cc2ccc(F)cc2)CC(C)O)s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is NOKHHCCRHIPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c1-12(19)9-18(11-16-8-3-13(2)20-16)10-14-4-6-15(17)7-5-14/h3-8,12,19H,9-11H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
1-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 3.58, 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-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 24713508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).