3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol

C15H16N2O2 — CID 136863722

IUPAC3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1cc(N)c(/N=C/c2cccc(O)c2O)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-12(16)13(7-10(9)2)17-8-11-4-3-5-14(18)15(11)19/h3-8,18-19H,16H2,1-2H3/b17-8+
InChIKeyFHCKIDLZRFIKAE-CAOOACKPSA-N
MW256.30 g/mol
LogP3.05
Rot. Bonds2

About 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol

3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol (PubChem CID 136863722) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
PubChem CID136863722
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
SMILESCc1cc(N)c(/N=C/c2cccc(O)c2O)cc1C
InChIInChI=1S/C15H16N2O2/c1-9-6-12(16)13(7-10(9)2)17-8-11-4-3-5-14(18)15(11)19/h3-8,18-19H,16H2,1-2H3/b17-8+
InChIKeyFHCKIDLZRFIKAE-CAOOACKPSA-N
XLogP3.05
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]iminomethyl]benzene-1,2-diol
CID 1377771
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722
2-[(2-amino-4,5-dinitrophenyl)iminomethyl]-6-methoxyphenol
CID 136750024
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
CID 172914397
3-[(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzoic acid
CID 142640106
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
CID 717751
3-[(3,5-ditert-butylphenyl)iminomethyl]benzene-1,2-diol
CID 137048025
2-[(4-fluoro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135596113
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
3-[(2,6-diethylphenyl)iminomethyl]benzene-1,2-diol
CID 136753923
3-[[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-nitrophenyl]iminomethyl]benzene-1,2-diol
CID 3111549

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol (CID 136863722) is 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol is Cc1cc(N)c(/N=C/c2cccc(O)c2O)cc1C.
What is the InChIKey of 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
The InChIKey is FHCKIDLZRFIKAE-CAOOACKPSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-12(16)13(7-10(9)2)17-8-11-4-3-5-14(18)15(11)19/h3-8,18-19H,16H2,1-2H3/b17-8+.
What are the key properties of 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol?
3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol has a molecular weight of 256.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 136863722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).