2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride

C12H18BrClN2O2 — CID 120829879

IUPAC2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(14-2)7-15-12(16)8-17-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyLXMQQKOTURXLPU-UHFFFAOYSA-N
MW337.65 g/mol
LogP1.97
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120829879) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120829879
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC Name2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)COc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(14-2)7-15-12(16)8-17-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyLXMQQKOTURXLPU-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
N-[2-(methylamino)propyl]-2-(4-propanoylphenoxy)acetamide
CID 120828053
2-(4-bromophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771067
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(3-fluoro-4-nitrophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829431
[(1R)-2-[[2-(4-bromophenoxy)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2110509
2-(3-acetylphenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120828020
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120829879) is 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)COc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is LXMQQKOTURXLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-9(14-2)7-15-12(16)8-17-11-5-3-10(13)4-6-11;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 337.65 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120829879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).