8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C15H19FN2 — CID 65333139

IUPAC8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1c(F)cccc21
InChIInChI=1S/C15H19FN2/c1-2-9-17-13-8-4-6-11-10-5-3-7-12(16)14(10)18-15(11)13/h3,5,7,13,17-18H,2,4,6,8-9H2,1H3
InChIKeyYTQZQRNRBDSJQE-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.68
Rot. Bonds3

About 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333139) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333139
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCCNC1CCCc2c1[nH]c1c(F)cccc21
InChIInChI=1S/C15H19FN2/c1-2-9-17-13-8-4-6-11-10-5-3-7-12(16)14(10)18-15(11)13/h3,5,7,13,17-18H,2,4,6,8-9H2,1H3
InChIKeyYTQZQRNRBDSJQE-UHFFFAOYSA-N
XLogP3.68
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333139) is 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCCNC1CCCc2c1[nH]c1c(F)cccc21.
What is the InChIKey of 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is YTQZQRNRBDSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-9-17-13-8-4-6-11-10-5-3-7-12(16)14(10)18-15(11)13/h3,5,7,13,17-18H,2,4,6,8-9H2,1H3.
What are the key properties of 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 246.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).