4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride

C15H18ClNS — CID 155819299

IUPAC4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
SMILESCSc1ccc(CNc2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13;/h3-10,16H,11H2,1-2H3;1H
InChIKeyFQPMRUZBYDOWBU-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.75
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride

4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride (PubChem CID 155819299) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
PubChem CID155819299
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride
SMILESCSc1ccc(CNc2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13;/h3-10,16H,11H2,1-2H3;1H
InChIKeyFQPMRUZBYDOWBU-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
N-[(4-cyclopropylphenyl)methyl]-4-methylsulfanylaniline
CID 79979250
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
4-butan-2-yl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43230072
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
N-[(4-iodophenyl)methyl]-4-methylaniline
CID 60674684
6-fluoro-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 103825810
N-[(4-methylsulfanylphenyl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 60694138
N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 62327458
1-methyl-3-[4-[(4-methylsulfanylphenyl)methylamino]phenyl]urea
CID 43744305
4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride?
The IUPAC name of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride (CID 155819299) is 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride?
The canonical SMILES for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride is CSc1ccc(CNc2ccc(C)cc2)cc1.Cl.
What is the InChIKey of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride?
The InChIKey is FQPMRUZBYDOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13;/h3-10,16H,11H2,1-2H3;1H.
What are the key properties of 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride?
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline;hydrochloride is sourced from PubChem (CID 155819299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).