[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol

C12H17F2NOS — CID 112661796

IUPAC[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol
SMILESCSCC(C)N(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C12H17F2NOS/c1-8(7-17-3)15(2)12-10(13)4-9(6-16)5-11(12)14/h4-5,8,16H,6-7H2,1-3H3
InChIKeySZJLEEGQUASSKK-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.64
Rot. Bonds5

About [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol

[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol (PubChem CID 112661796) has the molecular formula C12H17F2NOS and a molecular weight of 261.34 g/mol. Its IUPAC name is [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol
PubChem CID112661796
Molecular FormulaC12H17F2NOS
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol
SMILESCSCC(C)N(C)c1c(F)cc(CO)cc1F
InChIInChI=1S/C12H17F2NOS/c1-8(7-17-3)15(2)12-10(13)4-9(6-16)5-11(12)14/h4-5,8,16H,6-7H2,1-3H3
InChIKeySZJLEEGQUASSKK-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,5-difluoro-4-[methyl(propan-2-yl)amino]phenyl]methanol
CID 63077921
4-(2-aminobutyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115988051
4-(ethylaminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986265
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 112657232
[4-[1-(3-chlorophenyl)ethyl-methylamino]-3,5-difluorophenyl]methanol
CID 63075837
2-[2,6-difluoro-4-(hydroxymethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 63077398
4-(chloromethyl)-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63539620
[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112666401
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-(bromomethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 107085011
[4-[cyclopropyl(2-methylpropyl)amino]-3,5-difluorophenyl]methanol
CID 63076878
[3-[butan-2-yl(methyl)amino]-5-fluorophenyl]methanol
CID 106529697

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol (CID 112661796) is [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol is CSCC(C)N(C)c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol?
The InChIKey is SZJLEEGQUASSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NOS/c1-8(7-17-3)15(2)12-10(13)4-9(6-16)5-11(12)14/h4-5,8,16H,6-7H2,1-3H3.
What are the key properties of [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol?
[3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol has a molecular weight of 261.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 112661796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).