2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine

C13H21NS — CID 116853499

IUPAC2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
SMILESCc1cc(C)c(SC(C)(C)CN)c(C)c1
InChIInChI=1S/C13H21NS/c1-9-6-10(2)12(11(3)7-9)15-13(4,5)8-14/h6-7H,8,14H2,1-5H3
InChIKeyDNWGDWODYJBVBS-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine

2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine (PubChem CID 116853499) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
PubChem CID116853499
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine
SMILESCc1cc(C)c(SC(C)(C)CN)c(C)c1
InChIInChI=1S/C13H21NS/c1-9-6-10(2)12(11(3)7-9)15-13(4,5)8-14/h6-7H,8,14H2,1-5H3
InChIKeyDNWGDWODYJBVBS-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(2,6-dimethylphenyl)sulfanyl-2-methylpropan-1-amine
CID 44593077
(2S)-3-(2,6-dimethylphenyl)sulfanyl-2-methylpropan-1-amine
CID 44593078
Mesityl sulfide
CID 220250
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CID 66066343
Benzene, 1,3,5-trimethyl-2-(methylthio)-
CID 11084258
2-[(4-Methylphenyl)thio]ethanamine
CID 420617
2-[(1,1-Dimethylethyl)thio]-1,3,5-trimethylbenzene
CID 12386941
2-(tert-Butylsulfanyl)-1,3-dimethylbenzene
CID 12387797
Isopropyl mesityl sulfide
CID 13287456
(5-Methyl-2-methylsulfanylphenyl)methanamine
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1-Tert-butylsulfanyl-2,4-dimethyl-benzene
CID 118587974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine (CID 116853499) is 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine is Cc1cc(C)c(SC(C)(C)CN)c(C)c1.
What is the InChIKey of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine?
The InChIKey is DNWGDWODYJBVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-6-10(2)12(11(3)7-9)15-13(4,5)8-14/h6-7H,8,14H2,1-5H3.
What are the key properties of 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine?
2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,4,6-trimethylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 116853499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).