2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride

C12H18BrClN2O2 — CID 119502634

IUPAC2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(12(16)15-8-7-14-2)17-11-6-4-3-5-10(11)13;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyROEGCKRZCPBERN-UHFFFAOYSA-N
MW337.65 g/mol
LogP1.97
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride

2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride (PubChem CID 119502634) has the molecular formula C12H18BrClN2O2 and a molecular weight of 337.65 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
PubChem CID119502634
Molecular FormulaC12H18BrClN2O2
Molecular Weight337.65 g/mol
Exact Mass336.02
IUPAC Name2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)Oc1ccccc1Br.Cl
InChIInChI=1S/C12H17BrN2O2.ClH/c1-9(12(16)15-8-7-14-2)17-11-6-4-3-5-10(11)13;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H
InChIKeyROEGCKRZCPBERN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-bromophenoxy)-N-[3-[(S)-methylsulfinyl]propyl]propanamide
CID 96526936
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
CID 95623381
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride (CID 119502634) is 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride is CNCCNC(=O)C(C)Oc1ccccc1Br.Cl.
What is the InChIKey of 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The InChIKey is ROEGCKRZCPBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2.ClH/c1-9(12(16)15-8-7-14-2)17-11-6-4-3-5-10(11)13;/h3-6,9,14H,7-8H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;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-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119502634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).