2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide

C14H20BrN3O2 — CID 167991177

IUPAC2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide
SMILESNCCC1CN(C(C(N)=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C14H20BrN3O2/c15-11-3-1-2-10(8-11)13(14(17)19)18-6-7-20-12(9-18)4-5-16/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19)
InChIKeyOTXYUOIDEPYZPK-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.03
Rot. Bonds5

About 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide

2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide (PubChem CID 167991177) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide
PubChem CID167991177
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide
SMILESNCCC1CN(C(C(N)=O)c2cccc(Br)c2)CCO1
InChIInChI=1S/C14H20BrN3O2/c15-11-3-1-2-10(8-11)13(14(17)19)18-6-7-20-12(9-18)4-5-16/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19)
InChIKeyOTXYUOIDEPYZPK-UHFFFAOYSA-N
XLogP1.03
TPSA81.58 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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 99850820
2-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16792080
2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide
CID 166308598
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
2-(3-bromophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979771
2-(3-bromophenyl)-2-(3,4-dimethylpiperazin-1-yl)acetic acid
CID 83979780
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(4-fluorophenyl)acetamide
CID 95276667
4-[2-amino-1-(3-bromophenyl)propyl]morpholine-2-carbonitrile
CID 79664099
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
2-(3-bromophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetic acid
CID 154746789

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide (CID 167991177) is 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide is NCCC1CN(C(C(N)=O)c2cccc(Br)c2)CCO1.
What is the InChIKey of 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide?
The InChIKey is OTXYUOIDEPYZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c15-11-3-1-2-10(8-11)13(14(17)19)18-6-7-20-12(9-18)4-5-16/h1-3,8,12-13H,4-7,9,16H2,(H2,17,19).
What are the key properties of 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide?
2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)morpholin-4-yl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 167991177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).