2-(4-ethylphenyl)-1,3-dihydroisoindole

C16H17N — CID 3383161

IUPAC2-(4-ethylphenyl)-1,3-dihydroisoindole
SMILESCCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17N/c1-2-13-7-9-16(10-8-13)17-11-14-5-3-4-6-15(14)12-17/h3-10H,2,11-12H2,1H3
InChIKeyIMIWWBWMGMXCJY-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-ethylphenyl)-1,3-dihydroisoindole

2-(4-ethylphenyl)-1,3-dihydroisoindole (PubChem CID 3383161) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-dihydroisoindole
PubChem CID3383161
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-(4-ethylphenyl)-1,3-dihydroisoindole
SMILESCCc1ccc(N2Cc3ccccc3C2)cc1
InChIInChI=1S/C16H17N/c1-2-13-7-9-16(10-8-13)17-11-14-5-3-4-6-15(14)12-17/h3-10H,2,11-12H2,1H3
InChIKeyIMIWWBWMGMXCJY-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-(4-ethylphenyl)-2,3,4,6-tetrahydro-1H-2,5-benzodiazocine
CID 117015537
[4-(1,3-dihydroisoindol-2-yl)phenyl]methanol
CID 62206101
1-[4-(1,3-dihydroisoindol-2-yl)phenyl]butan-2-amine
CID 63795022
10-(4-ethylphenyl)-9H-acridine
CID 131970743
7-ethyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 168897972
4-(4-ethylphenyl)morpholine
CID 20576442
butane;ethane;1-(4-ethylphenyl)-4-methylpiperazine
CID 143709843
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-1-amine
CID 43280829
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]-N'-(4-ethylphenyl)oxamide
CID 16891766

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(4-ethylphenyl)-1,3-dihydroisoindole (CID 3383161) is 2-(4-ethylphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-dihydroisoindole is CCc1ccc(N2Cc3ccccc3C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-dihydroisoindole?
The InChIKey is IMIWWBWMGMXCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-13-7-9-16(10-8-13)17-11-14-5-3-4-6-15(14)12-17/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-1,3-dihydroisoindole?
2-(4-ethylphenyl)-1,3-dihydroisoindole has a molecular weight of 223.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 3383161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).