2-[(3-methoxyanilino)methyl]-4-nitrosophenol

C14H14N2O3 — CID 142621590

IUPAC2-[(3-methoxyanilino)methyl]-4-nitrosophenol
SMILESCOc1cccc(NCc2cc(N=O)ccc2O)c1
InChIInChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-9-10-7-12(16-18)5-6-14(10)17/h2-8,15,17H,9H2,1H3
InChIKeyHYUAAXIOQJXWNH-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.41
Rot. Bonds5

About 2-[(3-methoxyanilino)methyl]-4-nitrosophenol

2-[(3-methoxyanilino)methyl]-4-nitrosophenol (PubChem CID 142621590) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[(3-methoxyanilino)methyl]-4-nitrosophenol.

Molecular Properties

Compound Name2-[(3-methoxyanilino)methyl]-4-nitrosophenol
PubChem CID142621590
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[(3-methoxyanilino)methyl]-4-nitrosophenol
SMILESCOc1cccc(NCc2cc(N=O)ccc2O)c1
InChIInChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-9-10-7-12(16-18)5-6-14(10)17/h2-8,15,17H,9H2,1H3
InChIKeyHYUAAXIOQJXWNH-UHFFFAOYSA-N
XLogP3.41
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-5-nitrosophenyl)methylamino]benzonitrile
CID 142621581
4-methoxy-2-[(3-nitroanilino)methyl]phenol
CID 43717902
2-(hydroxymethyl)-4-[(3-methoxyphenyl)diazenyl]phenol
CID 136794349
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
4-[(2-hydroxy-5-methoxyphenyl)methylamino]benzamide
CID 28614468
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
4-[(3,5-dimethoxyanilino)methyl]benzene-1,2,3-triol
CID 103952990
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
2-[(3-ethynylanilino)methyl]-5-nitrosophenol
CID 142621586
methyl 3-bromo-4-[(3-methoxyanilino)methyl]benzoate
CID 102766466
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyanilino)methyl]-4-nitrosophenol?
The IUPAC name of 2-[(3-methoxyanilino)methyl]-4-nitrosophenol (CID 142621590) is 2-[(3-methoxyanilino)methyl]-4-nitrosophenol.
What is the SMILES notation for 2-[(3-methoxyanilino)methyl]-4-nitrosophenol?
The canonical SMILES for 2-[(3-methoxyanilino)methyl]-4-nitrosophenol is COc1cccc(NCc2cc(N=O)ccc2O)c1.
What is the InChIKey of 2-[(3-methoxyanilino)methyl]-4-nitrosophenol?
The InChIKey is HYUAAXIOQJXWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-13-4-2-3-11(8-13)15-9-10-7-12(16-18)5-6-14(10)17/h2-8,15,17H,9H2,1H3.
What are the key properties of 2-[(3-methoxyanilino)methyl]-4-nitrosophenol?
2-[(3-methoxyanilino)methyl]-4-nitrosophenol has a molecular weight of 258.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyanilino)methyl]-4-nitrosophenol is sourced from PubChem (CID 142621590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).