(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H18BrNO2 — CID 60628169

IUPAC(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2/c1-3-11-9-18-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyDFAHQFVGYQHYTR-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.09
Rot. Bonds2

About (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 60628169) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID60628169
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ccccc1Br
InChIInChI=1S/C14H18BrNO2/c1-3-11-9-18-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyDFAHQFVGYQHYTR-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(5-bromo-2-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103600035
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103800414
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 115930981
(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 42904647
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 60628169) is (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is DFAHQFVGYQHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-3-11-9-18-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 60628169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).