3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol

C18H18N2O — CID 136935335

IUPAC3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
SMILESCCc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-12-16-15-6-4-5-7-17(15)20(2)18(16)21/h4-12,21H,3H2,1-2H3/b19-12+
InChIKeyAFTDBRIMIWQOLR-XDHOZWIPSA-N
MW278.36 g/mol
LogP4.20
Rot. Bonds3

About 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol

3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol (PubChem CID 136935335) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
PubChem CID136935335
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol
SMILESCCc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-12-16-15-6-4-5-7-17(15)20(2)18(16)21/h4-12,21H,3H2,1-2H3/b19-12+
InChIKeyAFTDBRIMIWQOLR-XDHOZWIPSA-N
XLogP4.20
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]indol-2-ol
CID 136935383
1-methyl-3-[(2-methylphenyl)methyliminomethyl]indol-2-ol
CID 136935292
1-methyl-3-[(2-propan-2-yloxyphenyl)iminomethyl]indol-2-ol
CID 136935362
1-(2-ethoxynaphthalen-1-yl)-N-(4-ethylphenyl)methanimine
CID 3549672
3-(cycloheptyliminomethyl)-1-methylindol-2-ol
CID 136935322
5-[(4-ethylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135669241
methyl 4-chloro-3-[(2-hydroxy-1-methylindol-3-yl)methylideneamino]benzoate
CID 136935377
4-[(4-butylphenyl)iminomethyl]-2-(2-chlorophenyl)-3-hydroxyisoquinolin-1-one
CID 4293867
(4-ethylphenyl)-[2-(4-ethylphenyl)-1-methylindol-3-yl]diazene
CID 171784027
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
2-ethyl-9-methylcarbazole
CID 71038255
2-(4-ethyl-N-methylsulfonylanilino)-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 137143533

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol?
The IUPAC name of 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol (CID 136935335) is 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol?
The canonical SMILES for 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol is CCc1ccc(/N=C/c2c(O)n(C)c3ccccc23)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol?
The InChIKey is AFTDBRIMIWQOLR-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-13-8-10-14(11-9-13)19-12-16-15-6-4-5-7-17(15)20(2)18(16)21/h4-12,21H,3H2,1-2H3/b19-12+.
What are the key properties of 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol?
3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol has a molecular weight of 278.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)iminomethyl]-1-methylindol-2-ol is sourced from PubChem (CID 136935335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).