N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

C16H17BrN2O — CID 62564897

IUPACN-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCn1ccc2ccc(Br)cc21)c1ccco1
InChIInChI=1S/C16H17BrN2O/c1-12(16-3-2-10-20-16)18-7-9-19-8-6-13-4-5-14(17)11-15(13)19/h2-6,8,10-12,18H,7,9H2,1H3
InChIKeyCFUOCZRIWWUGQN-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.35
Rot. Bonds5

About N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine

N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 62564897) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID62564897
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(NCCn1ccc2ccc(Br)cc21)c1ccco1
InChIInChI=1S/C16H17BrN2O/c1-12(16-3-2-10-20-16)18-7-9-19-8-6-13-4-5-14(17)11-15(13)19/h2-6,8,10-12,18H,7,9H2,1H3
InChIKeyCFUOCZRIWWUGQN-UHFFFAOYSA-N
XLogP4.35
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine (CID 62564897) is N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is CC(NCCn1ccc2ccc(Br)cc21)c1ccco1.
What is the InChIKey of N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is CFUOCZRIWWUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12(16-3-2-10-20-16)18-7-9-19-8-6-13-4-5-14(17)11-15(13)19/h2-6,8,10-12,18H,7,9H2,1H3.
What are the key properties of N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine?
N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 333.23 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-bromoindol-1-yl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 62564897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).