4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine

C14H17BrN2O — CID 117171194

IUPAC4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2c(Br)cccc21
InChIInChI=1S/C14H17BrN2O/c1-16-9-11(10-17-5-7-18-8-6-17)14-12(15)3-2-4-13(14)16/h2-4,9H,5-8,10H2,1H3
InChIKeyXVTHWQPCYFWFGF-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.77
Rot. Bonds2

About 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine

4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine (PubChem CID 117171194) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
PubChem CID117171194
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)c2c(Br)cccc21
InChIInChI=1S/C14H17BrN2O/c1-16-9-11(10-17-5-7-18-8-6-17)14-12(15)3-2-4-13(14)16/h2-4,9H,5-8,10H2,1H3
InChIKeyXVTHWQPCYFWFGF-UHFFFAOYSA-N
XLogP2.77
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine (CID 117171194) is 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine is Cn1cc(CN2CCOCC2)c2c(Br)cccc21.
What is the InChIKey of 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine?
The InChIKey is XVTHWQPCYFWFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-16-9-11(10-17-5-7-18-8-6-17)14-12(15)3-2-4-13(14)16/h2-4,9H,5-8,10H2,1H3.
What are the key properties of 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine?
4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine has a molecular weight of 309.21 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-1-methylindol-3-yl)methyl]morpholine is sourced from PubChem (CID 117171194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).