2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride

C14H21BrClNO — CID 3066058

IUPAC2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride
SMILESCC(C)N1CCOC(C)(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;/h4-7,11H,8-10H2,1-3H3;1H
InChIKeyPVPMLWVTRJIKPJ-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.83
Rot. Bonds2

About 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride

2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride (PubChem CID 3066058) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride
PubChem CID3066058
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC Name2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride
SMILESCC(C)N1CCOC(C)(c2ccc(Br)cc2)C1.Cl
InChIInChI=1S/C14H20BrNO.ClH/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;/h4-7,11H,8-10H2,1-3H3;1H
InChIKeyPVPMLWVTRJIKPJ-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.83
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-methyl-4-propan-2-ylmorpholine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride (CID 3066058) is 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride is CC(C)N1CCOC(C)(c2ccc(Br)cc2)C1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride?
The InChIKey is PVPMLWVTRJIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO.ClH/c1-11(2)16-8-9-17-14(3,10-16)12-4-6-13(15)7-5-12;/h4-7,11H,8-10H2,1-3H3;1H.
What are the key properties of 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride?
2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride has a molecular weight of 334.69 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride is sourced from PubChem (CID 3066058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).