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

C15H17NS — CID 43229992

IUPACN-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccccc1C
InChIInChI=1S/C15H17NS/c1-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17-2/h3-10,16H,11H2,1-2H3
InChIKeyDIDFEIISRMYWSC-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.33
Rot. Bonds4

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

N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline (PubChem CID 43229992) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
PubChem CID43229992
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccccc1C
InChIInChI=1S/C15H17NS/c1-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17-2/h3-10,16H,11H2,1-2H3
InChIKeyDIDFEIISRMYWSC-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079
2-cyclopentylsulfanyl-N-[(2-methylphenyl)methyl]aniline
CID 43737712
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylaniline
CID 43683316
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 43780942
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylsulfanylaniline
CID 103610599
N-[(2,4-dichlorophenyl)methyl]-2-methylsulfanylaniline
CID 43229972
2-[(2-methylanilino)methyl]phenol
CID 3240149
2-methyl-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 62954281
N-[(2,3-dimethylphenyl)methyl]-2-methylaniline
CID 54944772

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline (CID 43229992) is N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline?
The InChIKey is DIDFEIISRMYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-12-7-3-4-8-13(12)11-16-14-9-5-6-10-15(14)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline?
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline has a molecular weight of 243.38 g/mol, XLogP of 4.33, 4 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-methylsulfanylaniline is sourced from PubChem (CID 43229992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).