2-(3-bromophenyl)-3-methylmorpholine

C11H14BrNO — CID 82623438

IUPAC2-(3-bromophenyl)-3-methylmorpholine
SMILESCC1NCCOC1c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyBACMQQRWZKODEZ-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds1

About 2-(3-bromophenyl)-3-methylmorpholine

2-(3-bromophenyl)-3-methylmorpholine (PubChem CID 82623438) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methylmorpholine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methylmorpholine
PubChem CID82623438
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromophenyl)-3-methylmorpholine
SMILESCC1NCCOC1c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyBACMQQRWZKODEZ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methylmorpholine?
The IUPAC name of 2-(3-bromophenyl)-3-methylmorpholine (CID 82623438) is 2-(3-bromophenyl)-3-methylmorpholine.
What is the SMILES notation for 2-(3-bromophenyl)-3-methylmorpholine?
The canonical SMILES for 2-(3-bromophenyl)-3-methylmorpholine is CC1NCCOC1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methylmorpholine?
The InChIKey is BACMQQRWZKODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-11(14-6-5-13-8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-methylmorpholine?
2-(3-bromophenyl)-3-methylmorpholine has a molecular weight of 256.14 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methylmorpholine is sourced from PubChem (CID 82623438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).