2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide

C13H18BrN3O2 — CID 114394940

IUPAC2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
SMILESNCC1CN(CC(=O)Nc2ccccc2Br)CCO1
InChIInChI=1S/C13H18BrN3O2/c14-11-3-1-2-4-12(11)16-13(18)9-17-5-6-19-10(7-15)8-17/h1-4,10H,5-9,15H2,(H,16,18)
InChIKeyWMLFIAZDPFLDCZ-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.05
Rot. Bonds4

About 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide

2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide (PubChem CID 114394940) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
PubChem CID114394940
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
SMILESNCC1CN(CC(=O)Nc2ccccc2Br)CCO1
InChIInChI=1S/C13H18BrN3O2/c14-11-3-1-2-4-12(11)16-13(18)9-17-5-6-19-10(7-15)8-17/h1-4,10H,5-9,15H2,(H,16,18)
InChIKeyWMLFIAZDPFLDCZ-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 114394898
2-[2-(aminomethyl)morpholin-4-yl]-N-methylacetamide
CID 61336632
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
[4-(2-phenylprop-2-enyl)morpholin-2-yl]methanamine
CID 114399002
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[2-(aminomethyl)morpholin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 114395245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide (CID 114394940) is 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide is NCC1CN(CC(=O)Nc2ccccc2Br)CCO1.
What is the InChIKey of 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide?
The InChIKey is WMLFIAZDPFLDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c14-11-3-1-2-4-12(11)16-13(18)9-17-5-6-19-10(7-15)8-17/h1-4,10H,5-9,15H2,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide?
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide has a molecular weight of 328.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 114394940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).