(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone

C14H18BrNO3 — CID 78988641

IUPAC(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2OC)CCO1
InChIInChI=1S/C14H18BrNO3/c1-3-11-9-16(6-7-19-11)14(17)12-5-4-10(15)8-13(12)18-2/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyYFBHXZRWTXSSAS-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.71
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone

(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 78988641) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID78988641
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2ccc(Br)cc2OC)CCO1
InChIInChI=1S/C14H18BrNO3/c1-3-11-9-16(6-7-19-11)14(17)12-5-4-10(15)8-13(12)18-2/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyYFBHXZRWTXSSAS-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202
methyl 2-[4-(4-bromo-2-chlorobenzoyl)morpholin-2-yl]acetate
CID 79812884
(4-bromo-2-methoxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 81344910
[(2R)-2-ethylmorpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 51934437
(4-bromo-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478388
[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
[2-(chloromethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104784771
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
1-(4-bromo-2-methoxybenzoyl)azetidine-3-carboxylic acid
CID 115368654

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone (CID 78988641) is (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2ccc(Br)cc2OC)CCO1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is YFBHXZRWTXSSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-3-11-9-16(6-7-19-11)14(17)12-5-4-10(15)8-13(12)18-2/h4-5,8,11H,3,6-7,9H2,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone?
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 78988641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).