4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine

C15H21BrN2O — CID 63170781

IUPAC4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
SMILESBrc1ccccc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H21BrN2O/c16-15-4-2-1-3-13(15)11-17-6-5-14(12-17)18-7-9-19-10-8-18/h1-4,14H,5-12H2
InChIKeyRZLUNYZSRXJXBT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.36
Rot. Bonds3

About 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine

4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine (PubChem CID 63170781) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
PubChem CID63170781
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
SMILESBrc1ccccc1CN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H21BrN2O/c16-15-4-2-1-3-13(15)11-17-6-5-14(12-17)18-7-9-19-10-8-18/h1-4,14H,5-12H2
InChIKeyRZLUNYZSRXJXBT-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine (CID 63170781) is 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine is Brc1ccccc1CN1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine?
The InChIKey is RZLUNYZSRXJXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-15-4-2-1-3-13(15)11-17-6-5-14(12-17)18-7-9-19-10-8-18/h1-4,14H,5-12H2.
What are the key properties of 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine?
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine has a molecular weight of 325.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 63170781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).