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

C15H15Cl2NO — CID 28540840

IUPAC2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(C)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3
InChIKeyGJAADCSNQIGUDP-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.93
Rot. Bonds3

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

2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol (PubChem CID 28540840) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
PubChem CID28540840
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
SMILESCc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(C)c1
InChIInChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3
InChIKeyGJAADCSNQIGUDP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120663
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
2,4-dichloro-6-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 29079835
2,4-dichloro-6-[(2-ethylanilino)methyl]phenol
CID 28525259
2,4-dichloro-6-[(4-fluoro-3-methylanilino)methyl]phenol
CID 55119072
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
CID 29274459
2,4-dichloro-6-[(2-chloro-5-fluoroanilino)methyl]phenol
CID 107527486
2,4-dichloro-6-[(2-propylanilino)methyl]phenol
CID 43687415
2-[(3-bromo-5-methylanilino)methyl]-4,6-dichlorophenol
CID 107582433

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol (CID 28540840) is 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol is Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(C)c1.
What is the InChIKey of 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol?
The InChIKey is GJAADCSNQIGUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-9-3-4-14(10(2)5-9)18-8-11-6-12(16)7-13(17)15(11)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol?
2,4-dichloro-6-[(2,4-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 2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol is sourced from PubChem (CID 28540840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).