2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol

C15H16ClNO3 — CID 107272130

IUPAC2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C15H16ClNO3/c1-19-12-4-6-14(18)10(7-12)9-17-11-3-5-13(16)15(8-11)20-2/h3-8,17-18H,9H2,1-2H3
InChIKeyMMLMFQYRXAXYNU-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.67
Rot. Bonds5

About 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol

2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol (PubChem CID 107272130) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
PubChem CID107272130
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C15H16ClNO3/c1-19-12-4-6-14(18)10(7-12)9-17-11-3-5-13(16)15(8-11)20-2/h3-8,17-18H,9H2,1-2H3
InChIKeyMMLMFQYRXAXYNU-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

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
2-bromo-4-[(4-chloro-3-methoxyanilino)methyl]phenol
CID 107621009
[4-[(4-chloro-3-methoxyanilino)methyl]phenyl]methanol
CID 107266036
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 65324051
[4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenyl]urea
CID 43744824
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol (CID 107272130) is 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2ccc(Cl)c(OC)c2)c1.
What is the InChIKey of 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol?
The InChIKey is MMLMFQYRXAXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-19-12-4-6-14(18)10(7-12)9-17-11-3-5-13(16)15(8-11)20-2/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol?
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol 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 2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 107272130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).