2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline

C16H19NOS — CID 43302415

IUPAC2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
SMILESCOc1ccc(C)cc1CSc1ccc(C)cc1N
InChIInChI=1S/C16H19NOS/c1-11-4-6-15(18-3)13(8-11)10-19-16-7-5-12(2)9-14(16)17/h4-9H,10,17H2,1-3H3
InChIKeyIJGVHQNQWLEMTB-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.19
Rot. Bonds4

About 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline

2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline (PubChem CID 43302415) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
PubChem CID43302415
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline
SMILESCOc1ccc(C)cc1CSc1ccc(C)cc1N
InChIInChI=1S/C16H19NOS/c1-11-4-6-15(18-3)13(8-11)10-19-16-7-5-12(2)9-14(16)17/h4-9H,10,17H2,1-3H3
InChIKeyIJGVHQNQWLEMTB-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline 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

2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-methylaniline
CID 79142232
3-chloro-4-[(2-methoxy-5-methylphenyl)methylsulfanyl]aniline
CID 43305207
5-bromo-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 43305831
1-[3-[(2-amino-5-methylphenyl)sulfanylmethyl]-4-methoxyphenyl]ethanone
CID 79127352
4-[(2-amino-4-methylphenyl)sulfanylmethyl]-2-methoxybenzonitrile
CID 106791472
3-[(2-methoxy-5-methylphenyl)methylsulfanyl]butan-1-amine
CID 66228621
1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 64666153
3-[(2,5-dimethylphenyl)sulfanylmethyl]-4-methoxybenzaldehyde
CID 60778710
2-[(2,5-dimethylphenyl)methylsulfanyl]-4-methoxyaniline
CID 79518676
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
2-[(4-fluorophenyl)methylsulfanyl]-5-methylaniline
CID 43302719
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline (CID 43302415) is 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline is COc1ccc(C)cc1CSc1ccc(C)cc1N.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline?
The InChIKey is IJGVHQNQWLEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-4-6-15(18-3)13(8-11)10-19-16-7-5-12(2)9-14(16)17/h4-9H,10,17H2,1-3H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline?
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline has a molecular weight of 273.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-methylaniline is sourced from PubChem (CID 43302415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).