2-[(2-anilinophenyl)methylideneamino]-6-methylphenol

C20H18N2O — CID 21342904

IUPAC2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
SMILESCc1cccc(/N=C/c2ccccc2Nc2ccccc2)c1O
InChIInChI=1S/C20H18N2O/c1-15-8-7-13-19(20(15)23)21-14-16-9-5-6-12-18(16)22-17-10-3-2-4-11-17/h2-14,22-23H,1H3/b21-14+
InChIKeyGNYSCXDSRBGCMZ-KGENOOAVSA-N
MW302.38 g/mol
LogP5.19
Rot. Bonds4

About 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol

2-[(2-anilinophenyl)methylideneamino]-6-methylphenol (PubChem CID 21342904) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol.

Molecular Properties

Compound Name2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
PubChem CID21342904
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name2-[(2-anilinophenyl)methylideneamino]-6-methylphenol
SMILESCc1cccc(/N=C/c2ccccc2Nc2ccccc2)c1O
InChIInChI=1S/C20H18N2O/c1-15-8-7-13-19(20(15)23)21-14-16-9-5-6-12-18(16)22-17-10-3-2-4-11-17/h2-14,22-23H,1H3/b21-14+
InChIKeyGNYSCXDSRBGCMZ-KGENOOAVSA-N
XLogP5.19
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-bis[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]benzene-1,3-diamine
CID 102530043
2-[(2,6-dimethylphenyl)iminomethyl]-N-(4-methylphenyl)aniline
CID 102395036
N-phenyl-2-(phenyliminomethyl)aniline
CID 21342734
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
2,3-dimethyl-N-phenylaniline
CID 14952469
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
N'-(2,6-dimethylphenyl)-N-[2-[(2,6-dimethylphenyl)iminomethyl]phenyl]methanimidamide
CID 102486072
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
N-(2-anilino-6-methylphenyl)hydroxylamine
CID 88948360
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol?
The IUPAC name of 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol (CID 21342904) is 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol.
What is the SMILES notation for 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol?
The canonical SMILES for 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol is Cc1cccc(/N=C/c2ccccc2Nc2ccccc2)c1O.
What is the InChIKey of 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol?
The InChIKey is GNYSCXDSRBGCMZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-8-7-13-19(20(15)23)21-14-16-9-5-6-12-18(16)22-17-10-3-2-4-11-17/h2-14,22-23H,1H3/b21-14+.
What are the key properties of 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol?
2-[(2-anilinophenyl)methylideneamino]-6-methylphenol has a molecular weight of 302.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinophenyl)methylideneamino]-6-methylphenol is sourced from PubChem (CID 21342904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).