2-(4-ethylphenyl)-2,3-dihydro-1H-indole

C16H17N — CID 3934310

IUPAC2-(4-ethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H17N/c1-2-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17-16/h3-10,16-17H,2,11H2,1H3
InChIKeyPQZHKWVTWPSJAT-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-ethylphenyl)-2,3-dihydro-1H-indole

2-(4-ethylphenyl)-2,3-dihydro-1H-indole (PubChem CID 3934310) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2,3-dihydro-1H-indole
PubChem CID3934310
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(4-ethylphenyl)-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3ccccc3N2)cc1
InChIInChI=1S/C16H17N/c1-2-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17-16/h3-10,16-17H,2,11H2,1H3
InChIKeyPQZHKWVTWPSJAT-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Desipramine
CID 2995
Dicarbine
CID 65684
Indoline
CID 10328
N,N'-Di-o-tolylethylenediamine
CID 66759
2-Methylindoline
CID 23305
Metapramine
CID 65700
alpha,alpha'-Dianilino-p-xylene
CID 607368
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-ethylphenyl)-2,3-dihydro-1H-indole (CID 3934310) is 2-(4-ethylphenyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-ethylphenyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-ethylphenyl)-2,3-dihydro-1H-indole is CCc1ccc(C2Cc3ccccc3N2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2,3-dihydro-1H-indole?
The InChIKey is PQZHKWVTWPSJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-12-7-9-13(10-8-12)16-11-14-5-3-4-6-15(14)17-16/h3-10,16-17H,2,11H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-2,3-dihydro-1H-indole?
2-(4-ethylphenyl)-2,3-dihydro-1H-indole has a molecular weight of 223.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3934310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).