2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol

C13H17Br2NO2 — CID 118072936

IUPAC2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCC1NC(C)(C)COC1(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3
InChIKeyBYKKAIZBTLEYCD-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.14
Rot. Bonds1

About 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol

2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol (PubChem CID 118072936) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol
PubChem CID118072936
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol
SMILESCC1NC(C)(C)COC1(O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3
InChIKeyBYKKAIZBTLEYCD-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol
CID 46837647
(2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837650
(2S,3S)-2-(3-fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837648
(2S,3S)-2-(3-bromophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837649
(2S,3S)-3,5,5-trimethyl-2-(4-methylphenyl)morpholin-2-ol
CID 46837781
(2S,3S)-2-(3,4-difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837784
(2S,3S)-2-(3,5-difluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837785
(2S,3S)-2-(4-Fluorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837653
2-Morpholinol, 2-(4-fluorophenyl)-3,5,5-trimethyl-, hydrochloride, cis-
CID 24840368
2-Morpholinol, 2-phenyl-3,5,5-trimethyl-, hydrochloride, cis-
CID 24840370
2-(3-Bromophenyl)morpholine
CID 43350820
2-(3-Bromophenyl)-2-methylmorpholine
CID 84031537

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol (CID 118072936) is 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol is CC1NC(C)(C)COC1(O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is BYKKAIZBTLEYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3.
What are the key properties of 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol?
2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 379.09 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 118072936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).