4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol

C14H14N2O2 — CID 176556621

IUPAC4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol
SMILESCc1cc(O)cc(/C=N/c2ccc(O)cc2)c1N
InChIInChI=1S/C14H14N2O2/c1-9-6-13(18)7-10(14(9)15)8-16-11-2-4-12(17)5-3-11/h2-8,17-18H,15H2,1H3/b16-8+
InChIKeyLPDLJFCYKSIIFG-LZYBPNLTSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds2

About 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol

4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol (PubChem CID 176556621) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol.

Molecular Properties

Compound Name4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol
PubChem CID176556621
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol
SMILESCc1cc(O)cc(/C=N/c2ccc(O)cc2)c1N
InChIInChI=1S/C14H14N2O2/c1-9-6-13(18)7-10(14(9)15)8-16-11-2-4-12(17)5-3-11/h2-8,17-18H,15H2,1H3/b16-8+
InChIKeyLPDLJFCYKSIIFG-LZYBPNLTSA-N
XLogP2.74
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)iminomethyl]-2-methylphenol
CID 156775651
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
CID 4654883
4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
4-[(5-methylfuran-2-yl)methylideneamino]phenol
CID 793223
4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
CID 136697386
2-[[3-(1-ethoxyethenyl)phenyl]iminomethyl]-4,6-dimethylaniline
CID 126763468
2-[(3-methylphenyl)iminomethyl]benzene-1,4-diol
CID 173347602
4-[(2,3-dichlorophenyl)methylideneamino]phenol
CID 132648456
4-[(2-amino-5-hydroxyphenyl)methylideneamino]-3,5-difluorophenol;ethane
CID 153368047

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol?
The IUPAC name of 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol (CID 176556621) is 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol.
What is the SMILES notation for 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol?
The canonical SMILES for 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol is Cc1cc(O)cc(/C=N/c2ccc(O)cc2)c1N.
What is the InChIKey of 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol?
The InChIKey is LPDLJFCYKSIIFG-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-13(18)7-10(14(9)15)8-16-11-2-4-12(17)5-3-11/h2-8,17-18H,15H2,1H3/b16-8+.
What are the key properties of 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol?
4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol has a molecular weight of 242.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-hydroxyphenyl)iminomethyl]-5-methylphenol is sourced from PubChem (CID 176556621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).