2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol

C15H15Cl2NOS — CID 87654888

IUPAC2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol
SMILESCSc1ccc(CNc2cc(Cl)c(C)c(Cl)c2O)cc1
InChIInChI=1S/C15H15Cl2NOS/c1-9-12(16)7-13(15(19)14(9)17)18-8-10-3-5-11(20-2)6-4-10/h3-7,18-19H,8H2,1-2H3
InChIKeyZXZJUZFKPODELN-UHFFFAOYSA-N
MW328.26 g/mol
LogP5.34
Rot. Bonds4

About 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol

2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol (PubChem CID 87654888) has the molecular formula C15H15Cl2NOS and a molecular weight of 328.26 g/mol. Its IUPAC name is 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol.

Molecular Properties

Compound Name2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol
PubChem CID87654888
Molecular FormulaC15H15Cl2NOS
Molecular Weight328.26 g/mol
Exact Mass327.03
IUPAC Name2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol
SMILESCSc1ccc(CNc2cc(Cl)c(C)c(Cl)c2O)cc1
InChIInChI=1S/C15H15Cl2NOS/c1-9-12(16)7-13(15(19)14(9)17)18-8-10-3-5-11(20-2)6-4-10/h3-7,18-19H,8H2,1-2H3
InChIKeyZXZJUZFKPODELN-UHFFFAOYSA-N
XLogP5.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.26
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[3-(4-tert-butylphenoxy)phenyl]methylamino]-2,4-dichloro-3-methylphenol
CID 58828938
2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 103584823
4-chloro-3-fluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43721327
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
2,4-dichloro-3-methyl-6-[(2-morpholin-4-ylphenyl)methylamino]phenol
CID 87654793
4-bromo-2,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 63448979
5-chloro-N-ethyl-2-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 18712089
4-[(2,4,5-trichloroanilino)methyl]phenol
CID 28536282
methyl 3-methyl-4-[(4-methylsulfanylphenyl)methylamino]benzoate
CID 43730494
2-iodo-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 28878595
4-methyl-3-[(4-methylsulfanylphenyl)methylamino]benzonitrile
CID 62103167
N-[(4-methylsulfanylphenyl)methyl]-2-methylsulfonylaniline
CID 43724594

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol?
The IUPAC name of 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol (CID 87654888) is 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol.
What is the SMILES notation for 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol?
The canonical SMILES for 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol is CSc1ccc(CNc2cc(Cl)c(C)c(Cl)c2O)cc1.
What is the InChIKey of 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol?
The InChIKey is ZXZJUZFKPODELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NOS/c1-9-12(16)7-13(15(19)14(9)17)18-8-10-3-5-11(20-2)6-4-10/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol?
2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol has a molecular weight of 328.26 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-methyl-6-[(4-methylsulfanylphenyl)methylamino]phenol is sourced from PubChem (CID 87654888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).