2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide

C12H17BrN2O2 — CID 60657940

IUPAC2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-2-5-15-12(17)8-14-7-9-3-4-11(16)10(13)6-9/h3-4,6,14,16H,2,5,7-8H2,1H3,(H,15,17)
InChIKeyGXWHTPZSILHUMZ-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.77
Rot. Bonds6

About 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide

2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide (PubChem CID 60657940) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
PubChem CID60657940
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1ccc(O)c(Br)c1
InChIInChI=1S/C12H17BrN2O2/c1-2-5-15-12(17)8-14-7-9-3-4-11(16)10(13)6-9/h3-4,6,14,16H,2,5,7-8H2,1H3,(H,15,17)
InChIKeyGXWHTPZSILHUMZ-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]acetate
CID 63045145
2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]-N-propylacetamide
CID 43406327
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
2-[(3,5-dimethylphenyl)methylamino]-N-propylacetamide
CID 54940546
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
2-[(2-bromo-5-chlorophenyl)methylamino]-N-propylacetamide
CID 66158893
2-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
tert-butyl N-[2-[(3-bromo-4-hydroxyphenyl)methylamino]ethyl]carbamate
CID 103778467
5-[[[2-oxo-2-(propylamino)ethyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 103239119
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide (CID 60657940) is 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide?
The InChIKey is GXWHTPZSILHUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-2-5-15-12(17)8-14-7-9-3-4-11(16)10(13)6-9/h3-4,6,14,16H,2,5,7-8H2,1H3,(H,15,17).
What are the key properties of 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide?
2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide has a molecular weight of 301.18 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-hydroxyphenyl)methylamino]-N-propylacetamide is sourced from PubChem (CID 60657940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).