4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol

C15H25NOS — CID 64928528

IUPAC4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1ccc(C)cc1C
InChIInChI=1S/C15H25NOS/c1-4-8-16-14(7-9-17)11-18-15-6-5-12(2)10-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3
InChIKeyAEGFOGDQOGWNKB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.15
Rot. Bonds8

About 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol

4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol (PubChem CID 64928528) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
PubChem CID64928528
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CSc1ccc(C)cc1C
InChIInChI=1S/C15H25NOS/c1-4-8-16-14(7-9-17)11-18-15-6-5-12(2)10-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3
InChIKeyAEGFOGDQOGWNKB-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2,4-dimethylphenyl)sulfanylbutan-1-ol
CID 64900528
3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64807421
3-(propylamino)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-1-ol
CID 65041207
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
N-[2-(2,4-dimethylphenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755255
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
4-[(3-bromo-2-pyridinyl)sulfanyl]-3-(propylamino)butan-1-ol
CID 64927358
3-(propylamino)-4-pyrazin-2-ylsulfanylbutan-1-ol
CID 64928338
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
4-(4-methylphenyl)sulfonyl-3-(propylamino)butan-1-ol
CID 64898401
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol (CID 64928528) is 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol is CCCNC(CCO)CSc1ccc(C)cc1C.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol?
The InChIKey is AEGFOGDQOGWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-8-16-14(7-9-17)11-18-15-6-5-12(2)10-13(15)3/h5-6,10,14,16-17H,4,7-9,11H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol?
4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfanyl-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64928528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).