2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol

C14H21BrN2O2 — CID 104800383

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-17-4-5-19-14(10-17)13(18)7-11-6-12(15)9-16-8-11/h6,8-9,13-14,18H,2-5,7,10H2,1H3
InChIKeyKDLHVAMWIQTDEA-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.86
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol (PubChem CID 104800383) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
PubChem CID104800383
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol
SMILESCCCN1CCOC(C(O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-17-4-5-19-14(10-17)13(18)7-11-6-12(15)9-16-8-11/h6,8-9,13-14,18H,2-5,7,10H2,1H3
InChIKeyKDLHVAMWIQTDEA-UHFFFAOYSA-N
XLogP1.86
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79668703
1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669879
2-(4-fluoro-2-methylphenyl)-1-(4-propylmorpholin-2-yl)ethanol
CID 114347522
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669792
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666603
1-(4-propylmorpholin-2-yl)undecan-1-ol
CID 79663521
2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79826331
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
3-ethyl-1-(4-propylmorpholin-2-yl)heptan-1-ol
CID 79657527

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol (CID 104800383) is 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol is CCCN1CCOC(C(O)Cc2cncc(Br)c2)C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol?
The InChIKey is KDLHVAMWIQTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-2-3-17-4-5-19-14(10-17)13(18)7-11-6-12(15)9-16-8-11/h6,8-9,13-14,18H,2-5,7,10H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol has a molecular weight of 329.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-propylmorpholin-2-yl)ethanol is sourced from PubChem (CID 104800383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).