3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine

C14H19FN2 — CID 84627862

IUPAC3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine
SMILESCn1cc(C(C)(C)CCN)c2ccc(F)cc21
InChIInChI=1S/C14H19FN2/c1-14(2,6-7-16)12-9-17(3)13-8-10(15)4-5-11(12)13/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyLZEMZXAZRDNRAS-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.94
Rot. Bonds3

About 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine

3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine (PubChem CID 84627862) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine
PubChem CID84627862
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine
SMILESCn1cc(C(C)(C)CCN)c2ccc(F)cc21
InChIInChI=1S/C14H19FN2/c1-14(2,6-7-16)12-9-17(3)13-8-10(15)4-5-11(12)13/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyLZEMZXAZRDNRAS-UHFFFAOYSA-N
XLogP2.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine (CID 84627862) is 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine is Cn1cc(C(C)(C)CCN)c2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine?
The InChIKey is LZEMZXAZRDNRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-14(2,6-7-16)12-9-17(3)13-8-10(15)4-5-11(12)13/h4-5,8-9H,6-7,16H2,1-3H3.
What are the key properties of 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine?
3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-methylindol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 84627862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).