4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide

C14H20BrN3O2 — CID 83096413

IUPAC4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCNCc1ccc(Br)cc1N1CCOCC1C(N)=O
InChIInChI=1S/C14H20BrN3O2/c1-2-17-8-10-3-4-11(15)7-12(10)18-5-6-20-9-13(18)14(16)19/h3-4,7,13,17H,2,5-6,8-9H2,1H3,(H2,16,19)
InChIKeyQOXLBVHJIKHURG-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.25
Rot. Bonds5

About 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide

4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide (PubChem CID 83096413) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
PubChem CID83096413
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide
SMILESCCNCc1ccc(Br)cc1N1CCOCC1C(N)=O
InChIInChI=1S/C14H20BrN3O2/c1-2-17-8-10-3-4-11(15)7-12(10)18-5-6-20-9-13(18)14(16)19/h3-4,7,13,17H,2,5-6,8-9H2,1H3,(H2,16,19)
InChIKeyQOXLBVHJIKHURG-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-[2-[(2-methoxyethylamino)methyl]phenyl]morpholine-3-carboxamide
CID 83098525
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83101857
4-[2-methyl-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098536
4-(2-amino-5-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 83107043
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
4-[2-fluoro-4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83098530
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
4-[4-(propylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83096329
4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
CID 114853087

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide (CID 83096413) is 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide is CCNCc1ccc(Br)cc1N1CCOCC1C(N)=O.
What is the InChIKey of 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is QOXLBVHJIKHURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-17-8-10-3-4-11(15)7-12(10)18-5-6-20-9-13(18)14(16)19/h3-4,7,13,17H,2,5-6,8-9H2,1H3,(H2,16,19).
What are the key properties of 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide?
4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-2-(ethylaminomethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).