3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol

C15H15Cl2NO — CID 60790057

IUPAC3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(Cl)cc(Cl)c2)c(C)c1O
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)15(9)19)18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8H2,1-2H3
InChIKeyZJGOMKACQUHHHV-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.93
Rot. Bonds3

About 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol

3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol (PubChem CID 60790057) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
PubChem CID60790057
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(Cl)cc(Cl)c2)c(C)c1O
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)15(9)19)18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8H2,1-2H3
InChIKeyZJGOMKACQUHHHV-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

3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
3-(furan-3-ylmethylamino)-2,6-dimethylphenol
CID 63204508
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
3-[(4-cyclopropylphenyl)methylamino]-2,6-dimethylphenol
CID 79978851
3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 43741643
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol (CID 60790057) is 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2cc(Cl)cc(Cl)c2)c(C)c1O.
What is the InChIKey of 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is ZJGOMKACQUHHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)15(9)19)18-8-11-5-12(16)7-13(17)6-11/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol?
3-[(3,5-dichlorophenyl)methylamino]-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 3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 60790057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).