2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide

C11H15BrN2O2 — CID 115741782

IUPAC2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(O)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(2)11(16)7-13-6-8-5-9(15)3-4-10(8)12/h3-5,13,15H,6-7H2,1-2H3
InChIKeyRTHKPXSOCRYDBO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.33
Rot. Bonds4

About 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide

2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide (PubChem CID 115741782) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
PubChem CID115741782
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(O)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(2)11(16)7-13-6-8-5-9(15)3-4-10(8)12/h3-5,13,15H,6-7H2,1-2H3
InChIKeyRTHKPXSOCRYDBO-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide (CID 115741782) is 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cc(O)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
The InChIKey is RTHKPXSOCRYDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(2)11(16)7-13-6-8-5-9(15)3-4-10(8)12/h3-5,13,15H,6-7H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide?
2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide has a molecular weight of 287.16 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-hydroxyphenyl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 115741782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).