6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole

C17H18ClN — CID 4017058

IUPAC6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3ccc(Cl)c(C)c3N2)cc1
InChIInChI=1S/C17H18ClN/c1-3-12-4-6-13(7-5-12)16-10-14-8-9-15(18)11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3
InChIKeyNXURVNXEQLOHIO-UHFFFAOYSA-N
MW271.79 g/mol
LogP4.92
Rot. Bonds2

About 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole

6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole (PubChem CID 4017058) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
PubChem CID4017058
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3ccc(Cl)c(C)c3N2)cc1
InChIInChI=1S/C17H18ClN/c1-3-12-4-6-13(7-5-12)16-10-14-8-9-15(18)11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3
InChIKeyNXURVNXEQLOHIO-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole (CID 4017058) is 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole is CCc1ccc(C2Cc3ccc(Cl)c(C)c3N2)cc1.
What is the InChIKey of 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is NXURVNXEQLOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-3-12-4-6-13(7-5-12)16-10-14-8-9-15(18)11(2)17(14)19-16/h4-9,16,19H,3,10H2,1-2H3.
What are the key properties of 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole?
6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 271.79 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethylphenyl)-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4017058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).