2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol

C15H16ClNO2 — CID 51047338

IUPAC2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2c(C)cccc2Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-10-5-3-7-12(16)14(10)17-9-11-6-4-8-13(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyGOWVMNWKGYQLJS-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

About 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol

2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol (PubChem CID 51047338) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
PubChem CID51047338
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2c(C)cccc2Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-10-5-3-7-12(16)14(10)17-9-11-6-4-8-13(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyGOWVMNWKGYQLJS-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.97
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

4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
2-[(2,5-dichloro-4-methylanilino)methyl]-6-methoxyphenol
CID 104726382
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-chloro-6-methylaniline
CID 66254209
2-[(2-chloro-5-methylanilino)methyl]-6-methoxyphenol
CID 103880785
2-[(2-chloro-6-methylanilino)methyl]-4-fluorophenol
CID 107694475
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-[[(5-bromo-3-methylpyridin-1-ium-2-yl)amino]methyl]-6-methoxyphenol
CID 6920874
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol (CID 51047338) is 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol is COc1cccc(CNc2c(C)cccc2Cl)c1O.
What is the InChIKey of 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol?
The InChIKey is GOWVMNWKGYQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-5-3-7-12(16)14(10)17-9-11-6-4-8-13(19-2)15(11)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol?
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol has a molecular weight of 277.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol is sourced from PubChem (CID 51047338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).