2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine

C14H18BrFN2 — CID 166910623

IUPAC2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCC(C)Cn1cc(CCN)c2cc(F)c(Br)cc21
InChIInChI=1S/C14H18BrFN2/c1-9(2)7-18-8-10(3-4-17)11-5-13(16)12(15)6-14(11)18/h5-6,8-9H,3-4,7,17H2,1-2H3
InChIKeySWIIJFLVPWYLMS-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.70
Rot. Bonds4

About 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine

2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine (PubChem CID 166910623) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine
PubChem CID166910623
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine
SMILESCC(C)Cn1cc(CCN)c2cc(F)c(Br)cc21
InChIInChI=1S/C14H18BrFN2/c1-9(2)7-18-8-10(3-4-17)11-5-13(16)12(15)6-14(11)18/h5-6,8-9H,3-4,7,17H2,1-2H3
InChIKeySWIIJFLVPWYLMS-UHFFFAOYSA-N
XLogP3.70
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine?
The IUPAC name of 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine (CID 166910623) is 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine.
What is the SMILES notation for 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine?
The canonical SMILES for 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine is CC(C)Cn1cc(CCN)c2cc(F)c(Br)cc21.
What is the InChIKey of 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine?
The InChIKey is SWIIJFLVPWYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c1-9(2)7-18-8-10(3-4-17)11-5-13(16)12(15)6-14(11)18/h5-6,8-9H,3-4,7,17H2,1-2H3.
What are the key properties of 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine?
2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine has a molecular weight of 313.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-5-fluoro-1-(2-methylpropyl)indol-3-yl]ethanamine is sourced from PubChem (CID 166910623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).