[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol

C14H20BrNO2 — CID 61424491

IUPAC[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol
SMILESCCC1COC(C)CN1c1cc(Br)ccc1CO
InChIInChI=1S/C14H20BrNO2/c1-3-13-9-18-10(2)7-16(13)14-6-12(15)5-4-11(14)8-17/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyHALLWVWLABXDFO-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.95
Rot. Bonds3

About [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol

[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol (PubChem CID 61424491) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol
PubChem CID61424491
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol
SMILESCCC1COC(C)CN1c1cc(Br)ccc1CO
InChIInChI=1S/C14H20BrNO2/c1-3-13-9-18-10(2)7-16(13)14-6-12(15)5-4-11(14)8-17/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyHALLWVWLABXDFO-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]-N-ethylethanamine
CID 82955018
4-[2-(bromomethyl)-4-methylphenyl]-5-ethyl-2-methylmorpholine
CID 114054613
3-bromo-4-(5-ethyl-2-methylmorpholin-4-yl)benzonitrile
CID 82797068
[2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanamine
CID 43572805
2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
CID 66064888
4-(5-bromo-3-chloro-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 103583164
3-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)benzaldehyde
CID 81145311
4-(5-ethyl-2-methylmorpholin-4-yl)-3-fluoroaniline
CID 43578072
2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
CID 43578065
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
CID 63963227
[4-(5-ethyl-2-methylmorpholin-4-yl)-3-methylphenyl]methanamine
CID 60929563

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol (CID 61424491) is [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol is CCC1COC(C)CN1c1cc(Br)ccc1CO.
What is the InChIKey of [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol?
The InChIKey is HALLWVWLABXDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-13-9-18-10(2)7-16(13)14-6-12(15)5-4-11(14)8-17/h4-6,10,13,17H,3,7-9H2,1-2H3.
What are the key properties of [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol?
[4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol has a molecular weight of 314.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(5-ethyl-2-methylmorpholin-4-yl)phenyl]methanol is sourced from PubChem (CID 61424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).