N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C15H19FN2 — CID 65333102

IUPACN-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCNC1CCCc2c1[nH]c1c(C)cc(F)cc21
InChIInChI=1S/C15H19FN2/c1-3-17-13-6-4-5-11-12-8-10(16)7-9(2)14(12)18-15(11)13/h7-8,13,17-18H,3-6H2,1-2H3
InChIKeyIELJTAZRQBSNKR-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.60
Rot. Bonds2

About N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333102) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333102
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCCNC1CCCc2c1[nH]c1c(C)cc(F)cc21
InChIInChI=1S/C15H19FN2/c1-3-17-13-6-4-5-11-12-8-10(16)7-9(2)14(12)18-15(11)13/h7-8,13,17-18H,3-6H2,1-2H3
InChIKeyIELJTAZRQBSNKR-UHFFFAOYSA-N
XLogP3.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.60
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-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333102) is N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CCNC1CCCc2c1[nH]c1c(C)cc(F)cc21.
What is the InChIKey of N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is IELJTAZRQBSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-17-13-6-4-5-11-12-8-10(16)7-9(2)14(12)18-15(11)13/h7-8,13,17-18H,3-6H2,1-2H3.
What are the key properties of N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 246.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).