1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol

C15H17F2NOS — CID 110930743

IUPAC1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(C)CC(O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H17F2NOS/c1-10-3-5-12(20-10)8-18(2)9-15(19)11-4-6-13(16)14(17)7-11/h3-7,15,19H,8-9H2,1-2H3
InChIKeyCYCAFGLBLUHPFM-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.50
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol

1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol (PubChem CID 110930743) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol
PubChem CID110930743
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol
SMILESCc1ccc(CN(C)CC(O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H17F2NOS/c1-10-3-5-12(20-10)8-18(2)9-15(19)11-4-6-13(16)14(17)7-11/h3-7,15,19H,8-9H2,1-2H3
InChIKeyCYCAFGLBLUHPFM-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol (CID 110930743) is 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol is Cc1ccc(CN(C)CC(O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol?
The InChIKey is CYCAFGLBLUHPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-10-3-5-12(20-10)8-18(2)9-15(19)11-4-6-13(16)14(17)7-11/h3-7,15,19H,8-9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol?
1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[methyl-[(5-methylthiophen-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 110930743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).