2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile

C17H15N3 — CID 141210513

IUPAC2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
SMILESCCNc1ccc(-c2[nH]c3ccccc3c2C#N)cc1
InChIInChI=1S/C17H15N3/c1-2-19-13-9-7-12(8-10-13)17-15(11-18)14-5-3-4-6-16(14)20-17/h3-10,19-20H,2H2,1H3
InChIKeyAPOFFVIDGGMNJW-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.14
Rot. Bonds3

About 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile

2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile (PubChem CID 141210513) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
PubChem CID141210513
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
SMILESCCNc1ccc(-c2[nH]c3ccccc3c2C#N)cc1
InChIInChI=1S/C17H15N3/c1-2-19-13-9-7-12(8-10-13)17-15(11-18)14-5-3-4-6-16(14)20-17/h3-10,19-20H,2H2,1H3
InChIKeyAPOFFVIDGGMNJW-UHFFFAOYSA-N
XLogP4.14
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile 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

2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767
2-[4-(diethylamino)phenyl]-4-oxo-1H-quinoline-3-carbonitrile
CID 91741694
2-propoxy-1H-indole-3-carbonitrile
CID 142777137
2-(iodomethyl)-1H-indole-3-carbonitrile
CID 54202927
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
3-methyl-1H-indole-2-carbonitrile
CID 593371
3-iodo-1H-indole-2-carbonitrile
CID 11043753
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505
4-(4-ethylphenyl)-2-oxo-1H-quinoline-3-carbonitrile
CID 126544781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile (CID 141210513) is 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile is CCNc1ccc(-c2[nH]c3ccccc3c2C#N)cc1.
What is the InChIKey of 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile?
The InChIKey is APOFFVIDGGMNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-19-13-9-7-12(8-10-13)17-15(11-18)14-5-3-4-6-16(14)20-17/h3-10,19-20H,2H2,1H3.
What are the key properties of 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile?
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile is sourced from PubChem (CID 141210513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).