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

C15H15Cl2NO3 — CID 29274459

IUPAC2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OC)c1
InChIInChI=1S/C15H15Cl2NO3/c1-20-11-3-4-13(14(7-11)21-2)18-8-9-5-10(16)6-12(17)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyIGBWOFGJGZWKCH-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.33
Rot. Bonds5

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

2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol (PubChem CID 29274459) has the molecular formula C15H15Cl2NO3 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
PubChem CID29274459
Molecular FormulaC15H15Cl2NO3
Molecular Weight328.20 g/mol
Exact Mass327.04
IUPAC Name2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OC)c1
InChIInChI=1S/C15H15Cl2NO3/c1-20-11-3-4-13(14(7-11)21-2)18-8-9-5-10(16)6-12(17)15(9)19/h3-7,18-19H,8H2,1-2H3
InChIKeyIGBWOFGJGZWKCH-UHFFFAOYSA-N
XLogP4.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
2-(2,4-dichlorophenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2709356
2,4-dichloro-6-[(2,4-dimethylanilino)methyl]phenol
CID 28540840
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
2-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethoxyphenyl)acetamide
CID 17423898
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol (CID 29274459) is 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol is COc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(OC)c1.
What is the InChIKey of 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol?
The InChIKey is IGBWOFGJGZWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO3/c1-20-11-3-4-13(14(7-11)21-2)18-8-9-5-10(16)6-12(17)15(9)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol?
2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol has a molecular weight of 328.20 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2,4-dimethoxyanilino)methyl]phenol is sourced from PubChem (CID 29274459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).