N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine

C18H18N2O — CID 23476955

IUPACN-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine
SMILESCCOc1ccc(/N=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-21-16-10-8-15(9-11-16)19-12-14-13-20(2)18-7-5-4-6-17(14)18/h4-13H,3H2,1-2H3/b19-12+
InChIKeyYGWCZNVLUNMLIE-XDHOZWIPSA-N
MW278.36 g/mol
LogP4.33
Rot. Bonds4

About N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine

N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine (PubChem CID 23476955) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine
PubChem CID23476955
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine
SMILESCCOc1ccc(/N=C/c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-3-21-16-10-8-15(9-11-16)19-12-14-13-20(2)18-7-5-4-6-17(14)18/h4-13H,3H2,1-2H3/b19-12+
InChIKeyYGWCZNVLUNMLIE-XDHOZWIPSA-N
XLogP4.33
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine?
The IUPAC name of N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine (CID 23476955) is N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine is CCOc1ccc(/N=C/c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine?
The InChIKey is YGWCZNVLUNMLIE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-21-16-10-8-15(9-11-16)19-12-14-13-20(2)18-7-5-4-6-17(14)18/h4-13H,3H2,1-2H3/b19-12+.
What are the key properties of N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine?
N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine has a molecular weight of 278.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(1-methylindol-3-yl)methanimine is sourced from PubChem (CID 23476955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).