4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol

C20H20N2O — CID 1275213

IUPAC4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
SMILESCc1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-4-8-19(9-5-14)22-15(2)12-17(16(22)3)13-21-18-6-10-20(23)11-7-18/h4-13,23H,1-3H3/b21-13+
InChIKeyUAJHYUYWAUWAEB-FYJGNVAPSA-N
MW304.39 g/mol
LogP4.86
Rot. Bonds3

About 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol

4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol (PubChem CID 1275213) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
PubChem CID1275213
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
SMILESCc1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1
InChIInChI=1S/C20H20N2O/c1-14-4-8-19(9-5-14)22-15(2)12-17(16(22)3)13-21-18-6-10-20(23)11-7-18/h4-13,23H,1-3H3/b21-13+
InChIKeyUAJHYUYWAUWAEB-FYJGNVAPSA-N
XLogP4.86
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
1-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 780818
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
CID 3123643
4-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid
CID 94845447
1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
CID 94845458
4-[3-[(3-hydroxyphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 25039922
3-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate
CID 6979232
[4-[3-[[4-(diethylamino)phenyl]iminomethyl]-2,5-dimethylpyrrol-1-yl]phenyl] acetate
CID 1109626
2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbaldehyde;methanamine
CID 145362966
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CID 126192901
1-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)-N-quinolin-6-ylmethanimine
CID 23931095

Frequently Asked Questions

What is the IUPAC name of 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol?
The IUPAC name of 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol (CID 1275213) is 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol.
What is the SMILES notation for 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol?
The canonical SMILES for 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol is Cc1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1.
What is the InChIKey of 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol?
The InChIKey is UAJHYUYWAUWAEB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-4-8-19(9-5-14)22-15(2)12-17(16(22)3)13-21-18-6-10-20(23)11-7-18/h4-13,23H,1-3H3/b21-13+.
What are the key properties of 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol?
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol has a molecular weight of 304.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol is sourced from PubChem (CID 1275213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).