1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone

C14H18BrNO2 — CID 114068612

IUPAC1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
SMILESCCC1CN(c2ccc(C(C)=O)c(Br)c2)CCO1
InChIInChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)11-4-5-13(10(2)17)14(15)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyYDNVUEWWVIGJDD-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.27
Rot. Bonds3

About 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone

1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone (PubChem CID 114068612) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
PubChem CID114068612
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
SMILESCCC1CN(c2ccc(C(C)=O)c(Br)c2)CCO1
InChIInChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)11-4-5-13(10(2)17)14(15)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyYDNVUEWWVIGJDD-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
1-[4-(2-ethyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 114218460
1-[2-bromo-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanone
CID 114068730
methyl 5-[(2R)-2-ethylmorpholin-4-yl]-2-nitrobenzoate
CID 36722872
1-[2-bromo-4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068673
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
1-[2-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanone
CID 114068734
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
2-ethyl-4-(3-propan-2-ylphenyl)morpholine
CID 20744240
1-[4-(2-ethylmorpholin-4-yl)phenyl]-N-methylmethanamine
CID 43562969

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone (CID 114068612) is 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone is CCC1CN(c2ccc(C(C)=O)c(Br)c2)CCO1.
What is the InChIKey of 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone?
The InChIKey is YDNVUEWWVIGJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-12-9-16(6-7-18-12)11-4-5-13(10(2)17)14(15)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone?
1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone has a molecular weight of 312.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone is sourced from PubChem (CID 114068612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).