4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol

C15H15Cl2NO — CID 28932248

IUPAC4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(Cl)cc2Cl)cc(C)c1O
InChIInChI=1S/C15H15Cl2NO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3
InChIKeyWGXOTSYNCNKQKZ-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.93
Rot. Bonds3

About 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol

4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932248) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
PubChem CID28932248
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2ccc(Cl)cc2Cl)cc(C)c1O
InChIInChI=1S/C15H15Cl2NO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3
InChIKeyWGXOTSYNCNKQKZ-UHFFFAOYSA-N
XLogP4.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62760795
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethylphenol
CID 107677940
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
2,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 55198626
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol (CID 28932248) is 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol is Cc1cc(CNc2ccc(Cl)cc2Cl)cc(C)c1O.
What is the InChIKey of 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol?
The InChIKey is WGXOTSYNCNKQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-5-11(6-10(2)15(9)19)8-18-14-4-3-12(16)7-13(14)17/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol?
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol has a molecular weight of 296.20 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).