8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine

C13H15FN2 — CID 84622862

IUPAC8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCn1c2c(c3cccc(F)c31)CCCC2N
InChIInChI=1S/C13H15FN2/c1-16-12-8(4-2-6-10(12)14)9-5-3-7-11(15)13(9)16/h2,4,6,11H,3,5,7,15H2,1H3
InChIKeyGFRGMESNJXWBCY-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.65
Rot. Bonds

About 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine

8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine (PubChem CID 84622862) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine.

Molecular Properties

Compound Name8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
PubChem CID84622862
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine
SMILESCn1c2c(c3cccc(F)c31)CCCC2N
InChIInChI=1S/C13H15FN2/c1-16-12-8(4-2-6-10(12)14)9-5-3-7-11(15)13(9)16/h2,4,6,11H,3,5,7,15H2,1H3
InChIKeyGFRGMESNJXWBCY-UHFFFAOYSA-N
XLogP2.65
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The IUPAC name of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine (CID 84622862) is 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine.
What is the SMILES notation for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The canonical SMILES for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine is Cn1c2c(c3cccc(F)c31)CCCC2N.
What is the InChIKey of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
The InChIKey is GFRGMESNJXWBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-16-12-8(4-2-6-10(12)14)9-5-3-7-11(15)13(9)16/h2,4,6,11H,3,5,7,15H2,1H3.
What are the key properties of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine?
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazol-1-amine is sourced from PubChem (CID 84622862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).