3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

C14H19FN2 — CID 84627861

IUPAC3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCc1[nH]c2cc(F)ccc2c1C(C)(C)CCN
InChIInChI=1S/C14H19FN2/c1-9-13(14(2,3)6-7-16)11-5-4-10(15)8-12(11)17-9/h4-5,8,17H,6-7,16H2,1-3H3
InChIKeyRREFICIVOKNCRC-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.24
Rot. Bonds3

About 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine

3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (PubChem CID 84627861) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
PubChem CID84627861
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
SMILESCc1[nH]c2cc(F)ccc2c1C(C)(C)CCN
InChIInChI=1S/C14H19FN2/c1-9-13(14(2,3)6-7-16)11-5-4-10(15)8-12(11)17-9/h4-5,8,17H,6-7,16H2,1-3H3
InChIKeyRREFICIVOKNCRC-UHFFFAOYSA-N
XLogP3.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine (CID 84627861) is 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is Cc1[nH]c2cc(F)ccc2c1C(C)(C)CCN.
What is the InChIKey of 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
The InChIKey is RREFICIVOKNCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-9-13(14(2,3)6-7-16)11-5-4-10(15)8-12(11)17-9/h4-5,8,17H,6-7,16H2,1-3H3.
What are the key properties of 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine?
3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-methyl-1H-indol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84627861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).