4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol

C15H16ClNO3 — CID 28615702

IUPAC4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C15H16ClNO3/c1-19-13-6-10(7-14(20-2)15(13)18)9-17-12-5-3-4-11(16)8-12/h3-8,17-18H,9H2,1-2H3
InChIKeyDGRHJRWZHZRCEG-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.67
Rot. Bonds5

About 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol

4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol (PubChem CID 28615702) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
PubChem CID28615702
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CNc2cccc(Cl)c2)cc(OC)c1O
InChIInChI=1S/C15H16ClNO3/c1-19-13-6-10(7-14(20-2)15(13)18)9-17-12-5-3-4-11(16)8-12/h3-8,17-18H,9H2,1-2H3
InChIKeyDGRHJRWZHZRCEG-UHFFFAOYSA-N
XLogP3.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
CID 57166762
4-[(3-chloro-4-hydroxyanilino)methyl]-2,6-dimethoxyphenol
CID 107678634
2-bromo-4-[(3-hydroxyanilino)methyl]-6-methoxyphenol
CID 28722263
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
2-chloro-4-[(3-chloro-4-fluoroanilino)methyl]-6-methoxyphenol
CID 83454430
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloroaniline
CID 5135171
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
4-[(2-chloro-6-methylanilino)methyl]-2,6-dimethoxyphenol
CID 66253798
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
5-[(3-chloroanilino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065750
3-chloro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408545
3-chloro-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]aniline
CID 5190923

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol (CID 28615702) is 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol is COc1cc(CNc2cccc(Cl)c2)cc(OC)c1O.
What is the InChIKey of 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol?
The InChIKey is DGRHJRWZHZRCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-19-13-6-10(7-14(20-2)15(13)18)9-17-12-5-3-4-11(16)8-12/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol?
4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol has a molecular weight of 293.75 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloroanilino)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 28615702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).