(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C19H19ClN2O — CID 68915405

IUPAC(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2c[nH]c3c(OC)cccc23)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O/c1-21-17-9-14(12-7-6-11(20)8-15(12)17)16-10-22-19-13(16)4-3-5-18(19)23-2/h3-8,10,14,17,21-22H,9H2,1-2H3/t14-,17+/m0/s1
InChIKeyAQZPOVWDGAEZPY-WMLDXEAASA-N
MW326.83 g/mol
LogP4.63
Rot. Bonds3

About (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine

(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 68915405) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID68915405
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2c[nH]c3c(OC)cccc23)c2ccc(Cl)cc21
InChIInChI=1S/C19H19ClN2O/c1-21-17-9-14(12-7-6-11(20)8-15(12)17)16-10-22-19-13(16)4-3-5-18(19)23-2/h3-8,10,14,17,21-22H,9H2,1-2H3/t14-,17+/m0/s1
InChIKeyAQZPOVWDGAEZPY-WMLDXEAASA-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 (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 68915405) is (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@H](c2c[nH]c3c(OC)cccc23)c2ccc(Cl)cc21.
What is the InChIKey of (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AQZPOVWDGAEZPY-WMLDXEAASA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-21-17-9-14(12-7-6-11(20)8-15(12)17)16-10-22-19-13(16)4-3-5-18(19)23-2/h3-8,10,14,17,21-22H,9H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-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 (1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 68915405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).