2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide

C14H20BrN3O2 — CID 81490374

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
SMILESCC(N)C1CN(CC(=O)Nc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H20BrN3O2/c1-10(16)13-8-18(5-6-20-13)9-14(19)17-12-4-2-3-11(15)7-12/h2-4,7,10,13H,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyBSQBHXADDATPDJ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide (PubChem CID 81490374) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
PubChem CID81490374
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide
SMILESCC(N)C1CN(CC(=O)Nc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H20BrN3O2/c1-10(16)13-8-18(5-6-20-13)9-14(19)17-12-4-2-3-11(15)7-12/h2-4,7,10,13H,5-6,8-9,16H2,1H3,(H,17,19)
InChIKeyBSQBHXADDATPDJ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-bromophenyl)acetamide
CID 81490207
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
3-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chlorophenyl)propanamide
CID 81497387
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2-chlorophenyl)acetamide
CID 81490299
3-[2-(1-aminoethyl)morpholin-4-yl]-N-phenylpropanamide
CID 81490513
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 81497195
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 81497038
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 81497218
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide (CID 81490374) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide is CC(N)C1CN(CC(=O)Nc2cccc(Br)c2)CCO1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide?
The InChIKey is BSQBHXADDATPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(16)13-8-18(5-6-20-13)9-14(19)17-12-4-2-3-11(15)7-12/h2-4,7,10,13H,5-6,8-9,16H2,1H3,(H,17,19).
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide has a molecular weight of 342.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 81490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).