2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine

C15H25NS — CID 63982586

IUPAC2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCSCC(C)CNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NS/c1-11-6-13(3)15(14(4)7-11)9-16-8-12(2)10-17-5/h6-7,12,16H,8-10H2,1-5H3
InChIKeyYITMFXBMOGNOSU-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.70
Rot. Bonds6

About 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine

2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 63982586) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID63982586
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCSCC(C)CNCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NS/c1-11-6-13(3)15(14(4)7-11)9-16-8-12(2)10-17-5/h6-7,12,16H,8-10H2,1-5H3
InChIKeyYITMFXBMOGNOSU-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
N-methyl-2-propan-2-yl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252814
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 63982546
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
2-methyl-3-methylsulfanyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 63982340
3-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43085077
2-[(2,4,6-trimethylphenyl)methylamino]ethanethiol
CID 115223927
3-methyl-N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)butan-1-amine
CID 81015450
methyl 3-hydroxy-4-[(2,4,6-trimethylphenyl)methylamino]butanoate
CID 115123341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 63982586) is 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine is CSCC(C)CNCc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is YITMFXBMOGNOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-11-6-13(3)15(14(4)7-11)9-16-8-12(2)10-17-5/h6-7,12,16H,8-10H2,1-5H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine?
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63982586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).