1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol

C10H13F2NOS — CID 43167567

IUPAC1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NOS/c1-13-5-8(14)6-15-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyKGJBNNFVIYMOIK-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.64
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol

1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol (PubChem CID 43167567) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
PubChem CID43167567
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NOS/c1-13-5-8(14)6-15-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6H2,1H3
InChIKeyKGJBNNFVIYMOIK-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol 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

1-Amino-2-phenylthio-2-propanol
CID 113732
Ethanol, 2-((1-methyl-2-(phenylthio)ethyl)amino)-
CID 22171
1-[2-(Methylamino)ethoxy]-3-phenylsulfanylpropan-2-ol
CID 2865053
(3R,4S)-4-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11817903
1-Amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 22437795
(2S)-1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 28409457
(2S)-2-amino-4-(2-fluorophenyl)sulfanylbutan-1-ol
CID 57118617
2-Amino-3-(2-fluorophenyl)sulfanylpropan-1-ol
CID 59809196
3-(4-fluorophenyl)sulfanyl-N-methylpropan-1-amine
CID 60690983
2-Amino-4-(4-fluorophenyl)sulfanylbutan-1-ol
CID 64807423
(S)-2-amino-4-(4-fluoro-phenylsulfanyl)-butan-1-ol
CID 67178957
(2R)-2-amino-3-[(2-fluorophenyl)sulfanyl]propan-1-ol
CID 67266716

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol (CID 43167567) is 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol is CNCC(O)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
The InChIKey is KGJBNNFVIYMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-13-5-8(14)6-15-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol?
1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol has a molecular weight of 233.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfanyl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 43167567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).