2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol

C12H19NOS — CID 116957246

IUPAC2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
SMILESCNC(c1ccc(SC)cc1)C(C)(C)O
InChIInChI=1S/C12H19NOS/c1-12(2,14)11(13-3)9-5-7-10(15-4)8-6-9/h5-8,11,13-14H,1-4H3
InChIKeyIZGKTEBNGKQAIO-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol

2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol (PubChem CID 116957246) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
PubChem CID116957246
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol
SMILESCNC(c1ccc(SC)cc1)C(C)(C)O
InChIInChI=1S/C12H19NOS/c1-12(2,14)11(13-3)9-5-7-10(15-4)8-6-9/h5-8,11,13-14H,1-4H3
InChIKeyIZGKTEBNGKQAIO-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(methylamino)-3-(4-methylsulfanylphenyl)propanoic acid
CID 116953240
1-(4-bromophenyl)-2-methyl-1-(methylamino)propan-2-ol
CID 116957168
2-methyl-3-[1-(4-methylsulfanylphenyl)ethylamino]butan-2-ol
CID 65337707
2,2-dimethyl-4-(methylamino)-4-(4-methylsulfanylphenyl)butanoic acid
CID 116953739
1-methoxy-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 116961519
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
1-[methylamino-(4-methylsulfanylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116958178
1-(4-bromophenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215702
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol (CID 116957246) is 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol is CNC(c1ccc(SC)cc1)C(C)(C)O.
What is the InChIKey of 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is IZGKTEBNGKQAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2,14)11(13-3)9-5-7-10(15-4)8-6-9/h5-8,11,13-14H,1-4H3.
What are the key properties of 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol?
2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-1-(4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 116957246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).