3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C19H19ClN2O — CID 24887351

IUPAC3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21
InChIInChI=1S/C19H19ClN2O/c1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17/h3-8,10,13,18,21-22H,9H2,1-2H3
InChIKeyCWSJTIKARRCGIS-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.63
Rot. Bonds3

About 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 24887351) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID24887351
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21
InChIInChI=1S/C19H19ClN2O/c1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17/h3-8,10,13,18,21-22H,9H2,1-2H3
InChIKeyCWSJTIKARRCGIS-UHFFFAOYSA-N
XLogP4.63
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 24887351) is 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CC(c2c[nH]c3cccc(Cl)c23)c2ccc(OC)cc21.
What is the InChIKey of 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CWSJTIKARRCGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-21-18-9-13(12-7-6-11(23-2)8-14(12)18)15-10-22-17-5-3-4-16(20)19(15)17/h3-8,10,13,18,21-22H,9H2,1-2H3.
What are the key properties of 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 326.83 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 24887351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).