2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride

C12H17BrClNO — CID 3066062

IUPAC2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10;/h3-6H,7-9H2,1-2H3;1H
InChIKeyVPFIITGPARZSTJ-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.05
Rot. Bonds1

About 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride

2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride (PubChem CID 3066062) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride
PubChem CID3066062
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride
SMILESCN1CCOC(C)(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C12H16BrNO.ClH/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10;/h3-6H,7-9H2,1-2H3;1H
InChIKeyVPFIITGPARZSTJ-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride (CID 3066062) is 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride is CN1CCOC(C)(c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride?
The InChIKey is VPFIITGPARZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO.ClH/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10;/h3-6H,7-9H2,1-2H3;1H.
What are the key properties of 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride?
2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2,4-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 3066062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).