2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide

C12H17BrN2O2 — CID 115260219

IUPAC2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(Br)cc1CCN(C)CC(N)=O
InChIInChI=1S/C12H17BrN2O2/c1-15(8-12(14)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyYXAKLBGVQOWUKN-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide

2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 115260219) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
PubChem CID115260219
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(Br)cc1CCN(C)CC(N)=O
InChIInChI=1S/C12H17BrN2O2/c1-15(8-12(14)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16)
InChIKeyYXAKLBGVQOWUKN-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
4-[2-(5-bromo-2-methoxyphenyl)ethyl-propan-2-ylamino]butanamide
CID 21468763
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139416
4-amino-N-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115155486
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942779
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207139
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide (CID 115260219) is 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide is COc1ccc(Br)cc1CCN(C)CC(N)=O.
What is the InChIKey of 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is YXAKLBGVQOWUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-15(8-12(14)16)6-5-9-7-10(13)3-4-11(9)17-2/h3-4,7H,5-6,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide?
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 301.18 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 115260219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).