3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline

C23H24N2 — CID 156563712

IUPAC3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline
SMILESCCCc1c(Nc2ccccc2)cccc1-c1cccc2c1NCC2
InChIInChI=1S/C23H24N2/c1-2-8-20-19(21-13-6-9-17-15-16-24-23(17)21)12-7-14-22(20)25-18-10-4-3-5-11-18/h3-7,9-14,24-25H,2,8,15-16H2,1H3
InChIKeyWHTXLVDKQIFRDO-UHFFFAOYSA-N
MW328.46 g/mol
LogP6.02
Rot. Bonds5

About 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline

3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline (PubChem CID 156563712) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline
PubChem CID156563712
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline
SMILESCCCc1c(Nc2ccccc2)cccc1-c1cccc2c1NCC2
InChIInChI=1S/C23H24N2/c1-2-8-20-19(21-13-6-9-17-15-16-24-23(17)21)12-7-14-22(20)25-18-10-4-3-5-11-18/h3-7,9-14,24-25H,2,8,15-16H2,1H3
InChIKeyWHTXLVDKQIFRDO-UHFFFAOYSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline?
The IUPAC name of 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline (CID 156563712) is 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline is CCCc1c(Nc2ccccc2)cccc1-c1cccc2c1NCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline?
The InChIKey is WHTXLVDKQIFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-2-8-20-19(21-13-6-9-17-15-16-24-23(17)21)12-7-14-22(20)25-18-10-4-3-5-11-18/h3-7,9-14,24-25H,2,8,15-16H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline?
3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline has a molecular weight of 328.46 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-7-yl)-N-phenyl-2-propylaniline is sourced from PubChem (CID 156563712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).