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

C12H19NOS — CID 64807421

IUPAC3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1ccc(C)cc1C
InChIInChI=1S/C12H19NOS/c1-9-4-5-12(10(2)6-9)15-8-11(7-14)13-3/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyHZFVWCNAPKDQDC-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.98
Rot. Bonds5

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

3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol (PubChem CID 64807421) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
PubChem CID64807421
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)CSc1ccc(C)cc1C
InChIInChI=1S/C12H19NOS/c1-9-4-5-12(10(2)6-9)15-8-11(7-14)13-3/h4-6,11,13-14H,7-8H2,1-3H3
InChIKeyHZFVWCNAPKDQDC-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
CID 64928528
3-(2,5-dichlorophenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64805325
3-amino-4-(2,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64900528
1-(tert-butylamino)-3-(2,4-dimethylphenyl)sulfanylpropan-2-ol
CID 113317839
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
CID 64927552
2-amino-2-(2,4-dimethylphenyl)sulfanylethanol
CID 117034623
4-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63034836
3-(2,4-dimethylphenyl)sulfanyl-N-methylpropan-1-amine
CID 61385958
N-[(2,4-dimethylphenyl)sulfanylmethyl]ethanamine
CID 117032846
6-(2,4-dimethylphenyl)sulfanyl-N-methylhexan-2-amine
CID 64620891
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol (CID 64807421) is 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol is CNC(CO)CSc1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol?
The InChIKey is HZFVWCNAPKDQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9-4-5-12(10(2)6-9)15-8-11(7-14)13-3/h4-6,11,13-14H,7-8H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol?
3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).