4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine

C14H19BrN2O — CID 117496111

IUPAC4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine
SMILESBrc1cc(C2CCNC2)ccc1N1CCOCC1
InChIInChI=1S/C14H19BrN2O/c15-13-9-11(12-3-4-16-10-12)1-2-14(13)17-5-7-18-8-6-17/h1-2,9,12,16H,3-8,10H2
InChIKeyVJVCOAAMCSWBHY-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.36
Rot. Bonds2

About 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine

4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine (PubChem CID 117496111) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine
PubChem CID117496111
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine
SMILESBrc1cc(C2CCNC2)ccc1N1CCOCC1
InChIInChI=1S/C14H19BrN2O/c15-13-9-11(12-3-4-16-10-12)1-2-14(13)17-5-7-18-8-6-17/h1-2,9,12,16H,3-8,10H2
InChIKeyVJVCOAAMCSWBHY-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine?
The IUPAC name of 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine (CID 117496111) is 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine?
The canonical SMILES for 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine is Brc1cc(C2CCNC2)ccc1N1CCOCC1.
What is the InChIKey of 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine?
The InChIKey is VJVCOAAMCSWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-9-11(12-3-4-16-10-12)1-2-14(13)17-5-7-18-8-6-17/h1-2,9,12,16H,3-8,10H2.
What are the key properties of 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine?
4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine has a molecular weight of 311.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine is sourced from PubChem (CID 117496111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).