4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide

C14H20BrN3O2 — CID 83107194

IUPAC4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CN)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)12-4-3-10(8-16)7-11(12)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyKOUVBMNNEZFKIC-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.25
Rot. Bonds4

About 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide

4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83107194) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83107194
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1ccc(CN)cc1Br
InChIInChI=1S/C14H20BrN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)12-4-3-10(8-16)7-11(12)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyKOUVBMNNEZFKIC-UHFFFAOYSA-N
XLogP1.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[4-(aminomethyl)-2-bromophenyl]-N-methylmorpholine-3-carboxamide
CID 83106146
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
N-ethyl-4-[2-fluoro-4-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 83102955
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-[4-(aminomethyl)-2-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097596
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83101857
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide (CID 83107194) is 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1ccc(CN)cc1Br.
What is the InChIKey of 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is KOUVBMNNEZFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-2-17-14(19)13-9-20-6-5-18(13)12-4-3-10(8-16)7-11(12)15/h3-4,7,13H,2,5-6,8-9,16H2,1H3,(H,17,19).
What are the key properties of 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide?
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83107194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).