2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol

C15H17NO3 — CID 43743650

IUPAC2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C15H17NO3/c1-18-13-6-3-11(4-7-13)10-16-12-5-8-15(19-2)14(17)9-12/h3-9,16-17H,10H2,1-2H3
InChIKeyZRWSPAFCQMDFIQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.02
Rot. Bonds5

About 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol

2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol (PubChem CID 43743650) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
PubChem CID43743650
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol
SMILESCOc1ccc(CNc2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C15H17NO3/c1-18-13-6-3-11(4-7-13)10-16-12-5-8-15(19-2)14(17)9-12/h3-9,16-17H,10H2,1-2H3
InChIKeyZRWSPAFCQMDFIQ-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241
5-[(3-chloro-4-fluorophenyl)methylamino]-2-methoxyphenol
CID 81145856
5-(ethylamino)-2-methoxyphenol
CID 43743866
2-methoxy-5-[(5-methylfuran-2-yl)methylamino]phenol
CID 43743697
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
5-[(4-bromo-3-nitrophenyl)methylamino]-2-methoxyphenol
CID 43790689
2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 43713494
[[2-fluoro-4-[(4-methoxyphenyl)methylamino]phenyl]-hydroxymethylidene]-methylazanium
CID 146771473
4-[(3-hydroxy-4-methylanilino)methyl]-2,6-dimethoxyphenol
CID 107700768
2-methoxy-5-(quinolin-2-ylmethylamino)phenol
CID 64955663

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol?
The IUPAC name of 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol (CID 43743650) is 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol.
What is the SMILES notation for 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol?
The canonical SMILES for 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol is COc1ccc(CNc2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol?
The InChIKey is ZRWSPAFCQMDFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-6-3-11(4-7-13)10-16-12-5-8-15(19-2)14(17)9-12/h3-9,16-17H,10H2,1-2H3.
What are the key properties of 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol?
2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol has a molecular weight of 259.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-methoxyphenyl)methylamino]phenol is sourced from PubChem (CID 43743650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).