2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine

C21H27ClN2 — CID 172831088

IUPAC2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCC1(c2ccc(Cl)cc2)c2ccccc2NC1C
InChIInChI=1S/C21H27ClN2/c1-4-24(5-2)15-14-21(17-10-12-18(22)13-11-17)16(3)23-20-9-7-6-8-19(20)21/h6-13,16,23H,4-5,14-15H2,1-3H3
InChIKeyVNELRFDXVQLWAO-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.17
Rot. Bonds6

About 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine

2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine (PubChem CID 172831088) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine
PubChem CID172831088
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCC1(c2ccc(Cl)cc2)c2ccccc2NC1C
InChIInChI=1S/C21H27ClN2/c1-4-24(5-2)15-14-21(17-10-12-18(22)13-11-17)16(3)23-20-9-7-6-8-19(20)21/h6-13,16,23H,4-5,14-15H2,1-3H3
InChIKeyVNELRFDXVQLWAO-UHFFFAOYSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54514460
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 122236798
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine (CID 172831088) is 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine is CCN(CC)CCC1(c2ccc(Cl)cc2)c2ccccc2NC1C.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine?
The InChIKey is VNELRFDXVQLWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-4-24(5-2)15-14-21(17-10-12-18(22)13-11-17)16(3)23-20-9-7-6-8-19(20)21/h6-13,16,23H,4-5,14-15H2,1-3H3.
What are the key properties of 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine?
2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine has a molecular weight of 342.91 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2-methyl-1,2-dihydroindol-3-yl]-N,N-diethylethanamine is sourced from PubChem (CID 172831088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).