2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile

C15H14N2O2 — CID 28615921

IUPAC2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1ccc(O)c(CNc2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O2/c1-19-13-6-7-15(18)12(8-13)10-17-14-5-3-2-4-11(14)9-16/h2-8,17-18H,10H2,1H3
InChIKeyJKEYFAIGDNAPBR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

About 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile

2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile (PubChem CID 28615921) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
PubChem CID28615921
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1ccc(O)c(CNc2ccccc2C#N)c1
InChIInChI=1S/C15H14N2O2/c1-19-13-6-7-15(18)12(8-13)10-17-14-5-3-2-4-11(14)9-16/h2-8,17-18H,10H2,1H3
InChIKeyJKEYFAIGDNAPBR-UHFFFAOYSA-N
XLogP2.88
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
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-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
CID 81299307
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]benzonitrile
CID 43425459
2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61317436
4-methoxy-2-[(2-prop-2-enylsulfanylanilino)methyl]phenol
CID 60927118
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile?
The IUPAC name of 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile (CID 28615921) is 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile is COc1ccc(O)c(CNc2ccccc2C#N)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile?
The InChIKey is JKEYFAIGDNAPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-6-7-15(18)12(8-13)10-17-14-5-3-2-4-11(14)9-16/h2-8,17-18H,10H2,1H3.
What are the key properties of 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile?
2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 28615921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).