2-(4-bromophenyl)-4-propan-2-ylmorpholine

C13H18BrNO — CID 82184636

IUPAC2-(4-bromophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO/c1-10(2)15-7-8-16-13(9-15)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyZZNWJLDQSRERTG-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-bromophenyl)-4-propan-2-ylmorpholine

2-(4-bromophenyl)-4-propan-2-ylmorpholine (PubChem CID 82184636) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-propan-2-ylmorpholine
PubChem CID82184636
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(4-bromophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO/c1-10(2)15-7-8-16-13(9-15)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3
InChIKeyZZNWJLDQSRERTG-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine
CID 170687921
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 124569493
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
1-[2-(4-bromophenyl)morpholin-4-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847988
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
(2S)-2-(4-bromophenyl)-4-(2-methylsulfonylethyl)morpholine
CID 94200141
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4-bromophenyl)-4-propan-2-ylmorpholine (CID 82184636) is 2-(4-bromophenyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-propan-2-ylmorpholine?
The InChIKey is ZZNWJLDQSRERTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(2)15-7-8-16-13(9-15)11-3-5-12(14)6-4-11/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4-propan-2-ylmorpholine?
2-(4-bromophenyl)-4-propan-2-ylmorpholine has a molecular weight of 284.20 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 82184636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).