3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol

C12H19NOS — CID 64927552

IUPAC3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
SMILESCNC(CCO)CSc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-10-5-3-4-6-12(10)15-9-11(13-2)7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyGKGSSYRYOVFRIU-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.06
Rot. Bonds6

About 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol

3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol (PubChem CID 64927552) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
PubChem CID64927552
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol
SMILESCNC(CCO)CSc1ccccc1C
InChIInChI=1S/C12H19NOS/c1-10-5-3-4-6-12(10)15-9-11(13-2)7-8-14/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyGKGSSYRYOVFRIU-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
CID 66097582
N-methyl-1-(2-methylphenyl)sulfanylbut-3-yn-2-amine
CID 66099274
N-methyl-1-(1-methylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79761270
[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105237337
3-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)propan-1-ol
CID 64807421
1-(5-bromo-3-pyridinyl)-N-methyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 104802758
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
3-(methylamino)-4-(4-methylsulfonylphenyl)sulfanylbutan-1-ol
CID 64929920
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol?
The IUPAC name of 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol (CID 64927552) is 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol.
What is the SMILES notation for 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol?
The canonical SMILES for 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol is CNC(CCO)CSc1ccccc1C.
What is the InChIKey of 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol?
The InChIKey is GKGSSYRYOVFRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10-5-3-4-6-12(10)15-9-11(13-2)7-8-14/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol?
3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-(2-methylphenyl)sulfanylbutan-1-ol is sourced from PubChem (CID 64927552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).