1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C13H19BrClNO3 — CID 6603539

IUPAC1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H
InChIKeyRBCWZCMCMBEBRT-UHFFFAOYSA-N
MW352.66 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 6603539) has the molecular formula C13H19BrClNO3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID6603539
Molecular FormulaC13H19BrClNO3
Molecular Weight352.66 g/mol
Exact Mass351.02
IUPAC Name1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H
InChIKeyRBCWZCMCMBEBRT-UHFFFAOYSA-N
XLogP1.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(4-Bromophenoxy)ethyl)morpholine
CID 2053815
1-(2-Methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 3151249
N-(2-(p-bromophenoxy)ethyl)pyrrolidine
CID 70657
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol hydrochloride
CID 2839486
4-[2-(2-Bromophenoxy)ethyl]morpholine oxalate
CID 2847188
1-[Methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
CID 4309964
4-[5-(4-Bromophenoxy)pentyl]morpholine
CID 16187884
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
4-(3-(2-Bromophenoxy)propyl)morpholine
CID 2057833
1-[Bis(2-hydroxyethyl)amino]-3-(4-bromophenoxy)propan-2-ol
CID 3309980
2-(Piperidin-1-YL)ethyl 2-(4-bromophenoxy)acetate hydrochloride
CID 23724247

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 6603539) is 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cl.OC(COc1ccc(Br)cc1)CN1CCOCC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is RBCWZCMCMBEBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3.ClH/c14-11-1-3-13(4-2-11)18-10-12(16)9-15-5-7-17-8-6-15;/h1-4,12,16H,5-10H2;1H.
What are the key properties of 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 352.66 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 6603539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).