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

C15H19FN2 — CID 65332860

IUPAC6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCNC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H19FN2/c1-2-7-17-11-4-6-15-13(9-11)12-8-10(16)3-5-14(12)18-15/h3,5,8,11,17-18H,2,4,6-7,9H2,1H3
InChIKeyOKRXIUNYAPRDMK-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.16
Rot. Bonds3

About 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 65332860) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID65332860
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCCCNC1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C15H19FN2/c1-2-7-17-11-4-6-15-13(9-11)12-8-10(16)3-5-14(12)18-15/h3,5,8,11,17-18H,2,4,6-7,9H2,1H3
InChIKeyOKRXIUNYAPRDMK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 65332860) is 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CCCNC1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is OKRXIUNYAPRDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-2-7-17-11-4-6-15-13(9-11)12-8-10(16)3-5-14(12)18-15/h3,5,8,11,17-18H,2,4,6-7,9H2,1H3.
What are the key properties of 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 246.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 65332860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).