[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone

C20H22BrNO3 — CID 55657313

IUPAC[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2OCc2ccccc2Br)CCO1
InChIInChI=1S/C20H22BrNO3/c1-20(2)14-22(11-12-25-20)19(23)16-8-4-6-10-18(16)24-13-15-7-3-5-9-17(15)21/h3-10H,11-14H2,1-2H3
InChIKeyFWTHZQKTNTZNHZ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.28
Rot. Bonds4

About [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone

[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 55657313) has the molecular formula C20H22BrNO3 and a molecular weight of 404.30 g/mol. Its IUPAC name is [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID55657313
Molecular FormulaC20H22BrNO3
Molecular Weight404.30 g/mol
Exact Mass403.08
IUPAC Name[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccccc2OCc2ccccc2Br)CCO1
InChIInChI=1S/C20H22BrNO3/c1-20(2)14-22(11-12-25-20)19(23)16-8-4-6-10-18(16)24-13-15-7-3-5-9-17(15)21/h3-10H,11-14H2,1-2H3
InChIKeyFWTHZQKTNTZNHZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 55333873
(2-bromo-3-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 67326501
(2,2-dimethylmorpholin-4-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82793785
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyphenoxy)ethanone
CID 86981388
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
(2,2-dimethylmorpholin-4-yl)-(2-propylsulfonylphenyl)methanone
CID 35025063
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
CID 86991464
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
(2,2-dimethylmorpholin-4-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56813848

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 55657313) is [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2ccccc2OCc2ccccc2Br)CCO1.
What is the InChIKey of [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is FWTHZQKTNTZNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO3/c1-20(2)14-22(11-12-25-20)19(23)16-8-4-6-10-18(16)24-13-15-7-3-5-9-17(15)21/h3-10H,11-14H2,1-2H3.
What are the key properties of [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone?
[2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 404.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)methoxy]phenyl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 55657313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).