1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile

C19H18N2O2 — CID 951786

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
SMILESCOc1ccccc1OCCn1c(C)c(C#N)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-14-16(13-20)15-7-3-4-8-17(15)21(14)11-12-23-19-10-6-5-9-18(19)22-2/h3-10H,11-12H2,1-2H3
InChIKeyFTGGZPSRGZWNTH-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile

1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile (PubChem CID 951786) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
PubChem CID951786
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
SMILESCOc1ccccc1OCCn1c(C)c(C#N)c2ccccc21
InChIInChI=1S/C19H18N2O2/c1-14-16(13-20)15-7-3-4-8-17(15)21(14)11-12-23-19-10-6-5-9-18(19)22-2/h3-10H,11-12H2,1-2H3
InChIKeyFTGGZPSRGZWNTH-UHFFFAOYSA-N
XLogP3.91
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951782
1-[3-(2-methoxyphenoxy)propyl]-2-methylindole-3-carbaldehyde
CID 2197795
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
CID 3695535
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 114652751
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
1-[2-(2-methoxyphenoxy)ethyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997731
2-(3-cyano-2-methylindol-1-yl)acetate
CID 6957155
3-[2-(2-methoxyphenoxy)ethyl]-1,3-benzothiazol-2-one
CID 656169
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
1-[2-(2-methoxyphenoxy)ethyl]pyrrole
CID 60650106
2-(2-cyano-4-methoxyindol-1-yl)ethyl carbamate
CID 151219677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile (CID 951786) is 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile is COc1ccccc1OCCn1c(C)c(C#N)c2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile?
The InChIKey is FTGGZPSRGZWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-16(13-20)15-7-3-4-8-17(15)21(14)11-12-23-19-10-6-5-9-18(19)22-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile?
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile is sourced from PubChem (CID 951786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).