2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine

C16H15FN2 — CID 82381175

IUPAC2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine
SMILESCc1cc2[nH]c(-c3cccc(F)c3)cc2c(C)c1N
InChIInChI=1S/C16H15FN2/c1-9-6-15-13(10(2)16(9)18)8-14(19-15)11-4-3-5-12(17)7-11/h3-8,19H,18H2,1-2H3
InChIKeyZOVDWRDTKZEURI-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.17
Rot. Bonds1

About 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine

2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine (PubChem CID 82381175) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine
PubChem CID82381175
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine
SMILESCc1cc2[nH]c(-c3cccc(F)c3)cc2c(C)c1N
InChIInChI=1S/C16H15FN2/c1-9-6-15-13(10(2)16(9)18)8-14(19-15)11-4-3-5-12(17)7-11/h3-8,19H,18H2,1-2H3
InChIKeyZOVDWRDTKZEURI-UHFFFAOYSA-N
XLogP4.17
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine (CID 82381175) is 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine is Cc1cc2[nH]c(-c3cccc(F)c3)cc2c(C)c1N.
What is the InChIKey of 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine?
The InChIKey is ZOVDWRDTKZEURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-9-6-15-13(10(2)16(9)18)8-14(19-15)11-4-3-5-12(17)7-11/h3-8,19H,18H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine?
2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine has a molecular weight of 254.31 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,6-dimethyl-1H-indol-5-amine is sourced from PubChem (CID 82381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).