4-[3-(3-bromophenyl)propyl]morpholine

C13H18BrNO — CID 46739426

IUPAC4-[3-(3-bromophenyl)propyl]morpholine
SMILESBrc1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2
InChIKeyBRDFMYRGMMWEOR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds4

About 4-[3-(3-bromophenyl)propyl]morpholine

4-[3-(3-bromophenyl)propyl]morpholine (PubChem CID 46739426) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[3-(3-bromophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-bromophenyl)propyl]morpholine
PubChem CID46739426
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[3-(3-bromophenyl)propyl]morpholine
SMILESBrc1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2
InChIKeyBRDFMYRGMMWEOR-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromophenyl)propyl]morpholine?
The IUPAC name of 4-[3-(3-bromophenyl)propyl]morpholine (CID 46739426) is 4-[3-(3-bromophenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-bromophenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-bromophenyl)propyl]morpholine is Brc1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-bromophenyl)propyl]morpholine?
The InChIKey is BRDFMYRGMMWEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2.
What are the key properties of 4-[3-(3-bromophenyl)propyl]morpholine?
4-[3-(3-bromophenyl)propyl]morpholine has a molecular weight of 284.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromophenyl)propyl]morpholine is sourced from PubChem (CID 46739426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).