2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol

C15H15Cl2NO2 — CID 104726382

IUPAC2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1O
InChIInChI=1S/C15H15Cl2NO2/c1-9-6-12(17)13(7-11(9)16)18-8-10-4-3-5-14(20-2)15(10)19/h3-7,18-19H,8H2,1-2H3
InChIKeyPKSZACUFFIWCIF-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.63
Rot. Bonds4

About 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol

2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol (PubChem CID 104726382) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
PubChem CID104726382
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1O
InChIInChI=1S/C15H15Cl2NO2/c1-9-6-12(17)13(7-11(9)16)18-8-10-4-3-5-14(20-2)15(10)19/h3-7,18-19H,8H2,1-2H3
InChIKeyPKSZACUFFIWCIF-UHFFFAOYSA-N
XLogP4.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylaniline
CID 104792082
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
2-[(2-chloro-4-methylanilino)methyl]-6-ethoxyphenol
CID 28967743
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
[5-chloro-2-methoxy-4-[(2-methylphenyl)methylamino]phenyl]methanol
CID 83962472

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol (CID 104726382) is 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol is COc1cccc(CNc2cc(Cl)c(C)cc2Cl)c1O.
What is the InChIKey of 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol?
The InChIKey is PKSZACUFFIWCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9-6-12(17)13(7-11(9)16)18-8-10-4-3-5-14(20-2)15(10)19/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol?
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol has a molecular weight of 312.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 104726382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).