4-(2-bromo-2-phenylethyl)morpholine;hydrobromide

C12H17Br2NO — CID 3022064

IUPAC4-(2-bromo-2-phenylethyl)morpholine;hydrobromide
SMILESBr.BrC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16BrNO.BrH/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14;/h1-5,12H,6-10H2;1H
InChIKeyBHGDTCCHFABASY-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.03
Rot. Bonds3

About 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide

4-(2-bromo-2-phenylethyl)morpholine;hydrobromide (PubChem CID 3022064) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide.

Molecular Properties

Compound Name4-(2-bromo-2-phenylethyl)morpholine;hydrobromide
PubChem CID3022064
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name4-(2-bromo-2-phenylethyl)morpholine;hydrobromide
SMILESBr.BrC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C12H16BrNO.BrH/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14;/h1-5,12H,6-10H2;1H
InChIKeyBHGDTCCHFABASY-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide?
The IUPAC name of 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide (CID 3022064) is 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide.
What is the SMILES notation for 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide?
The canonical SMILES for 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide is Br.BrC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide?
The InChIKey is BHGDTCCHFABASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO.BrH/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14;/h1-5,12H,6-10H2;1H.
What are the key properties of 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide?
4-(2-bromo-2-phenylethyl)morpholine;hydrobromide has a molecular weight of 351.08 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-phenylethyl)morpholine;hydrobromide is sourced from PubChem (CID 3022064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).