4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine

C14H20BrNO2 — CID 65326745

IUPAC4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-12-10-18-7-6-16(12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10H2,1-2H3
InChIKeyHUOSMSVEOSUJQT-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.07
Rot. Bonds4

About 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine

4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine (PubChem CID 65326745) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
PubChem CID65326745
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine
SMILESCCC1COCCN1Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-12-10-18-7-6-16(12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10H2,1-2H3
InChIKeyHUOSMSVEOSUJQT-UHFFFAOYSA-N
XLogP3.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3R)-4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-3-yl]cyclopentan-1-one
CID 99791914
3-bromo-4-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 60790715
[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 65326810
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-5-propylpiperazine
CID 65331268
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 65322729
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyl-2-methylpiperazine
CID 65331441
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
CID 55208223

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine?
The IUPAC name of 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine (CID 65326745) is 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine?
The canonical SMILES for 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine is CCC1COCCN1Cc1cc(OC)ccc1Br.
What is the InChIKey of 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine?
The InChIKey is HUOSMSVEOSUJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-12-10-18-7-6-16(12)9-11-8-13(17-2)4-5-14(11)15/h4-5,8,12H,3,6-7,9-10H2,1-2H3.
What are the key properties of 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine?
4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine has a molecular weight of 314.22 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-5-methoxyphenyl)methyl]-3-ethylmorpholine is sourced from PubChem (CID 65326745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).