2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine

C16H28N2S — CID 112665489

IUPAC2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCSCCN(C)Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H28N2S/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-18(4)10-11-19-5/h6-9,17H,10-13H2,1-5H3
InChIKeyAKIODOGRKVFDND-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.37
Rot. Bonds7

About 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine

2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 112665489) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
PubChem CID112665489
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
SMILESCSCCN(C)Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C16H28N2S/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-18(4)10-11-19-5/h6-9,17H,10-13H2,1-5H3
InChIKeyAKIODOGRKVFDND-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-[[Benzyl(methyl)amino]methyl]phenyl]methanamine
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N-[[(4R)-2-phenyl-1,3-thiazolidin-4-yl]methyl]hexadecan-1-amine
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CID 10566609
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CID 604691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine (CID 112665489) is 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine is CSCCN(C)Cc1ccccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is AKIODOGRKVFDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-16(2,3)17-12-14-8-6-7-9-15(14)13-18(4)10-11-19-5/h6-9,17H,10-13H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine?
2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 112665489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).