(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C16H22BrNO4 — CID 35864203

IUPAC(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC
InChIInChI=1S/C16H22BrNO4/c1-5-21-15-13(17)6-12(7-14(15)20-4)16(19)18-8-10(2)22-11(3)9-18/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyPDVLNZPAZWUMMF-GHMZBOCLSA-N
MW372.26 g/mol
LogP3.11
Rot. Bonds4

About (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 35864203) has the molecular formula C16H22BrNO4 and a molecular weight of 372.26 g/mol. Its IUPAC name is (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID35864203
Molecular FormulaC16H22BrNO4
Molecular Weight372.26 g/mol
Exact Mass371.07
IUPAC Name(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC
InChIInChI=1S/C16H22BrNO4/c1-5-21-15-13(17)6-12(7-14(15)20-4)16(19)18-8-10(2)22-11(3)9-18/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyPDVLNZPAZWUMMF-GHMZBOCLSA-N
XLogP3.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

(3-bromo-4-ethoxy-5-methoxyphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119634884
1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427057
[(3R)-3-aminopiperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 124623012
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone;hydrochloride
CID 119516703
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(4-methoxy-1-benzofuran-6-yl)methanone
CID 95739192
[1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 33362988
(3-bromo-4-ethoxy-5-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119394773
(3-bromo-4-ethoxy-5-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573154
4-(3-bromo-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32500986
(4-benzylpiperidin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanone
CID 35510412
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 35864203) is (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is CCOc1c(Br)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1OC.
What is the InChIKey of (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is PDVLNZPAZWUMMF-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H22BrNO4/c1-5-21-15-13(17)6-12(7-14(15)20-4)16(19)18-8-10(2)22-11(3)9-18/h6-7,10-11H,5,8-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 372.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 35864203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).