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

C18H17FN2 — CID 24886833

IUPAC(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2c[nH]c3c(F)cccc23)c2ccccc21
InChIInChI=1S/C18H17FN2/c1-20-17-9-14(11-5-2-3-6-12(11)17)15-10-21-18-13(15)7-4-8-16(18)19/h2-8,10,14,17,20-21H,9H2,1H3/t14-,17+/m0/s1
InChIKeyUFZBTXAEXSXLFT-WMLDXEAASA-N
MW280.35 g/mol
LogP4.10
Rot. Bonds2

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

(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 24886833) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID24886833
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2c[nH]c3c(F)cccc23)c2ccccc21
InChIInChI=1S/C18H17FN2/c1-20-17-9-14(11-5-2-3-6-12(11)17)15-10-21-18-13(15)7-4-8-16(18)19/h2-8,10,14,17,20-21H,9H2,1H3/t14-,17+/m0/s1
InChIKeyUFZBTXAEXSXLFT-WMLDXEAASA-N
XLogP4.10
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 24886833) is (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@H](c2c[nH]c3c(F)cccc23)c2ccccc21.
What is the InChIKey of (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is UFZBTXAEXSXLFT-WMLDXEAASA-N. The full InChI is InChI=1S/C18H17FN2/c1-20-17-9-14(11-5-2-3-6-12(11)17)15-10-21-18-13(15)7-4-8-16(18)19/h2-8,10,14,17,20-21H,9H2,1H3/t14-,17+/m0/s1.
What are the key properties of (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 280.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-(7-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 24886833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).