N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine

C11H17NS — CID 60658226

IUPACN-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ccccc1C
InChIInChI=1S/C11H17NS/c1-10-5-3-4-6-11(10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3
InChIKeyUXOMSRYEQYKZPT-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.45
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine

N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine (PubChem CID 60658226) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
PubChem CID60658226
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine
SMILESCSCCNCc1ccccc1C
InChIInChI=1S/C11H17NS/c1-10-5-3-4-6-11(10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3
InChIKeyUXOMSRYEQYKZPT-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 112553913
2-(cyclopropylmethylsulfanyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 115703224
methyl 2-[(2-methylsulfanylethylamino)methyl]benzoate
CID 63981770
N-[(2,3-dimethylphenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639268
2-methyl-N-[(2-methylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 63981721
methyl 2-[2-[(2-methylsulfanylethylamino)methyl]phenyl]acetate
CID 115462010
N-[(2-methylphenyl)methyl]dodecan-1-amine
CID 60663920
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylethanamine
CID 112650180
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
5-iodo-N-[(2-methylphenyl)methyl]pentan-1-amine
CID 107320214
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658373

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine (CID 60658226) is N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine is CSCCNCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine?
The InChIKey is UXOMSRYEQYKZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-10-5-3-4-6-11(10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine?
N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine has a molecular weight of 195.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-methylsulfanylethanamine is sourced from PubChem (CID 60658226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).