1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine

C20H22N2O — CID 144937853

IUPAC1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2/h4-11,13,21H,3,12,14H2,1-2H3/b21-19-
InChIKeyVEKOYYNBLOJHMU-VZCXRCSSSA-N
MW306.41 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine

1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine (PubChem CID 144937853) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
PubChem CID144937853
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
SMILES[H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12
InChIInChI=1S/C20H22N2O/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2/h4-11,13,21H,3,12,14H2,1-2H3/b21-19-
InChIKeyVEKOYYNBLOJHMU-VZCXRCSSSA-N
XLogP4.55
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261116
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 144937875
1-(1,5-dimethylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937869
1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine;propanoic acid
CID 144937970
1-(5-ethoxy-1-phenylindol-3-yl)-2-(2-methylphenyl)ethanimine
CID 144937984
benzoic acid;1-[1-(furan-2-yl)indol-3-yl]-2-(2-methylphenyl)ethanimine
CID 145261102
acetic acid;N,N,1-trimethyl-3-[2-(2-methylphenyl)ethanimidoyl]indol-5-amine
CID 144937830
N-[[1-(ethoxymethyl)indol-3-yl]methyl]cyclopropanamine
CID 66401135
[(E)-[1-(1-benzylindol-3-yl)-2-(2-methylphenyl)ethylidene]amino] propanoate
CID 126609755
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The IUPAC name of 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine (CID 144937853) is 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine.
What is the SMILES notation for 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The canonical SMILES for 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine is [H]/N=C(/Cc1ccccc1C)c1cn(COCC)c2ccccc12.
What is the InChIKey of 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
The InChIKey is VEKOYYNBLOJHMU-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-23-14-22-13-18(17-10-6-7-11-20(17)22)19(21)12-16-9-5-4-8-15(16)2/h4-11,13,21H,3,12,14H2,1-2H3/b21-19-.
What are the key properties of 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine?
1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine has a molecular weight of 306.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethoxymethyl)indol-3-yl]-2-(2-methylphenyl)ethanimine is sourced from PubChem (CID 144937853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).