4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine

C14H23NS — CID 105121218

IUPAC4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCSCCC(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyAGXAYEUMVCSCBK-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.23
Rot. Bonds5

About 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine

4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 105121218) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID105121218
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCSCCC(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H23NS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13H,5-6,9,15H2,1-4H3
InChIKeyAGXAYEUMVCSCBK-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 63899352
1-N,1-N-diethyl-4-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 79086831
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
1-phenylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65142021
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
4-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 113391370
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55119893
1-(3-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63414918
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
4-methylsulfanyl-1-pyridin-4-ylbutan-2-amine
CID 105160708

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 105121218) is 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine is CSCCC(N)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is AGXAYEUMVCSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13H,5-6,9,15H2,1-4H3.
What are the key properties of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 105121218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).