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

C15H17FN2 — CID 84631314

IUPACN-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESFc1cccc2c3c([nH]c12)CCC(NC1CC1)C3
InChIInChI=1S/C15H17FN2/c16-13-3-1-2-11-12-8-10(17-9-4-5-9)6-7-14(12)18-15(11)13/h1-3,9-10,17-18H,4-8H2
InChIKeyYDVHDXACBISHJN-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.92
Rot. Bonds2

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

N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 84631314) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID84631314
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC NameN-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESFc1cccc2c3c([nH]c12)CCC(NC1CC1)C3
InChIInChI=1S/C15H17FN2/c16-13-3-1-2-11-12-8-10(17-9-4-5-9)6-7-14(12)18-15(11)13/h1-3,9-10,17-18H,4-8H2
InChIKeyYDVHDXACBISHJN-UHFFFAOYSA-N
XLogP2.92
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.92
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 N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 84631314) is N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine is Fc1cccc2c3c([nH]c12)CCC(NC1CC1)C3.
What is the InChIKey of N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is YDVHDXACBISHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-13-3-1-2-11-12-8-10(17-9-4-5-9)6-7-14(12)18-15(11)13/h1-3,9-10,17-18H,4-8H2.
What are the key properties of N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 244.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 84631314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).