2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine

C13H21NS — CID 63981721

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccccc1C
InChIInChI=1S/C13H21NS/c1-11(10-15-3)8-14-9-13-7-5-4-6-12(13)2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyBNPDLBQYZXBFNG-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.08
Rot. Bonds6

About 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine

2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 63981721) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
PubChem CID63981721
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCc1ccccc1C
InChIInChI=1S/C13H21NS/c1-11(10-15-3)8-14-9-13-7-5-4-6-12(13)2/h4-7,11,14H,8-10H2,1-3H3
InChIKeyBNPDLBQYZXBFNG-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]aniline
CID 66418078
methyl 2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]benzoate
CID 63981055
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
2-chloro-4-methyl-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107155964
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658226
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
2-methyl-3-methylsulfanyl-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63982586
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63965507
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine (CID 63981721) is 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine is CSCC(C)CNCc1ccccc1C.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is BNPDLBQYZXBFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-11(10-15-3)8-14-9-13-7-5-4-6-12(13)2/h4-7,11,14H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine?
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 63981721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).