3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline

C16H18N2 — CID 110454992

IUPAC3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCc3ccccc32)c1
InChIInChI=1S/C16H18N2/c1-17(2)14-7-5-8-15(12-14)18-11-10-13-6-3-4-9-16(13)18/h3-9,12H,10-11H2,1-2H3
InChIKeyZLXQEMMMOOJDNK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.45
Rot. Bonds2

About 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline

3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline (PubChem CID 110454992) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
PubChem CID110454992
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N2CCc3ccccc32)c1
InChIInChI=1S/C16H18N2/c1-17(2)14-7-5-8-15(12-14)18-11-10-13-6-3-4-9-16(13)18/h3-9,12H,10-11H2,1-2H3
InChIKeyZLXQEMMMOOJDNK-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline (CID 110454992) is 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline is CN(C)c1cccc(N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline?
The InChIKey is ZLXQEMMMOOJDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-17(2)14-7-5-8-15(12-14)18-11-10-13-6-3-4-9-16(13)18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline?
3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline has a molecular weight of 238.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 110454992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).