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

C15H15Cl2NO2 — CID 104726290

IUPAC5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1O
InChIInChI=1S/C15H15Cl2NO2/c1-9-5-12(17)13(7-11(9)16)18-8-10-3-4-15(20-2)14(19)6-10/h3-7,18-19H,8H2,1-2H3
InChIKeyLRONKTYOUHBRPG-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.63
Rot. Bonds4

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

5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol (PubChem CID 104726290) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
PubChem CID104726290
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1O
InChIInChI=1S/C15H15Cl2NO2/c1-9-5-12(17)13(7-11(9)16)18-8-10-3-4-15(20-2)14(19)6-10/h3-7,18-19H,8H2,1-2H3
InChIKeyLRONKTYOUHBRPG-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

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Related Compounds

[4-[(2,5-dichloro-4-methylanilino)methyl]phenyl]methanol
CID 115969675
2,5-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-4-methylaniline
CID 104726123
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 43713494
4-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736031
N-[(4-tert-butylphenyl)methyl]-2,5-dichloro-4-methylaniline
CID 104726041
2,5-dichloro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 113445808
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol (CID 104726290) is 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol is COc1ccc(CNc2cc(Cl)c(C)cc2Cl)cc1O.
What is the InChIKey of 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol?
The InChIKey is LRONKTYOUHBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-9-5-12(17)13(7-11(9)16)18-8-10-3-4-15(20-2)14(19)6-10/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol?
5-[(2,5-dichloro-4-methylanilino)methyl]-2-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 5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 104726290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).