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

C18H18N2 — CID 24887103

IUPAC(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C18H18N2/c1-19-18-10-15(12-6-2-3-7-13(12)18)16-11-20-17-9-5-4-8-14(16)17/h2-9,11,15,18-20H,10H2,1H3/t15-,18+/m1/s1
InChIKeyFZWHVHXVEHVADL-QAPCUYQASA-N
MW262.36 g/mol
LogP3.96
Rot. Bonds2

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

(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 24887103) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID24887103
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C18H18N2/c1-19-18-10-15(12-6-2-3-7-13(12)18)16-11-20-17-9-5-4-8-14(16)17/h2-9,11,15,18-20H,10H2,1H3/t15-,18+/m1/s1
InChIKeyFZWHVHXVEHVADL-QAPCUYQASA-N
XLogP3.96
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887100
(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24886833
(1S,3R)-3-(1H-indol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 69032046
3-(6-bromo-1H-indol-3-yl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887355
(1S,3S)-3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582051
3-(4-chloro-1H-indol-3-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887351
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
(1R,3S)-6-chloro-3-(7-methoxy-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 68915405
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
3-(1H-indol-3-yl)cyclopentan-1-amine
CID 22386576
methane;3-piperidin-4-yl-1H-indole
CID 70444570

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 24887103) is (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FZWHVHXVEHVADL-QAPCUYQASA-N. The full InChI is InChI=1S/C18H18N2/c1-19-18-10-15(12-6-2-3-7-13(12)18)16-11-20-17-9-5-4-8-14(16)17/h2-9,11,15,18-20H,10H2,1H3/t15-,18+/m1/s1.
What are the key properties of (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 262.36 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-3-(1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 24887103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).