2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide

C11H15BrN2O2 — CID 60938044

IUPAC2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CN
InChIInChI=1S/C11H15BrN2O2/c1-14(11(15)6-13)7-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,13H2,1-2H3
InChIKeyLEEYLCXYMNVTRM-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.37
Rot. Bonds4

About 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide

2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 60938044) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID60938044
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CN
InChIInChI=1S/C11H15BrN2O2/c1-14(11(15)6-13)7-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,13H2,1-2H3
InChIKeyLEEYLCXYMNVTRM-UHFFFAOYSA-N
XLogP1.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180644
6-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60954211
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
(2R)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267692
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024442
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide (CID 60938044) is 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(Br)cc1CN(C)C(=O)CN.
What is the InChIKey of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is LEEYLCXYMNVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(11(15)6-13)7-8-5-9(12)3-4-10(8)16-2/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide?
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 287.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60938044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).