2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol

C15H15Cl2NO — CID 126125728

IUPAC2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
SMILESCc1ccc(C)c(NCc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-10(2)14(5-9)18-8-11-6-12(16)15(19)13(17)7-11/h3-7,18-19H,8H2,1-2H3
InChIKeySKMKKUAVOFJLEN-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.93
Rot. Bonds3

About 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol

2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol (PubChem CID 126125728) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
PubChem CID126125728
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
SMILESCc1ccc(C)c(NCc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-10(2)14(5-9)18-8-11-6-12(16)15(19)13(17)7-11/h3-7,18-19H,8H2,1-2H3
InChIKeySKMKKUAVOFJLEN-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

2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770
2,6-dichloro-4-[(2,3-dimethylanilino)methyl]phenol
CID 126121984
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126118745
N-[(4-chloro-3-nitrophenyl)methyl]-2,5-dimethylaniline
CID 81301563
N-[(3,5-dibromo-4-prop-2-ynoxyphenyl)methyl]-2,5-dimethylaniline
CID 126127380
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
N-benzyl-2-chloro-5-methylaniline
CID 83290853
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol?
The IUPAC name of 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol (CID 126125728) is 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol is Cc1ccc(C)c(NCc2cc(Cl)c(O)c(Cl)c2)c1.
What is the InChIKey of 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol?
The InChIKey is SKMKKUAVOFJLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-3-4-10(2)14(5-9)18-8-11-6-12(16)15(19)13(17)7-11/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol?
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol 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 2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol is sourced from PubChem (CID 126125728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).