N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride

C11H16BrClN2O2 — CID 119384173

IUPACN-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)NCCN.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-8(11(15)14-7-6-13)16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyGYXCUDJMZVKBRL-UHFFFAOYSA-N
MW323.62 g/mol
LogP1.71
Rot. Bonds5

About N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride

N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride (PubChem CID 119384173) has the molecular formula C11H16BrClN2O2 and a molecular weight of 323.62 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
PubChem CID119384173
Molecular FormulaC11H16BrClN2O2
Molecular Weight323.62 g/mol
Exact Mass322.01
IUPAC NameN-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
SMILESCC(Oc1ccccc1Br)C(=O)NCCN.Cl
InChIInChI=1S/C11H15BrN2O2.ClH/c1-8(11(15)14-7-6-13)16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H
InChIKeyGYXCUDJMZVKBRL-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-bromophenoxy)-N-[3-[(S)-methylsulfinyl]propyl]propanamide
CID 96526936
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
CID 95623381
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
N-(2-aminoethyl)-1-[2-(2-bromophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481152
(2S)-2-[2-(2-bromophenoxy)propanoylamino]-4-methylpentanoic acid
CID 119361135
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride (CID 119384173) is N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride is CC(Oc1ccccc1Br)C(=O)NCCN.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride?
The InChIKey is GYXCUDJMZVKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2.ClH/c1-8(11(15)14-7-6-13)16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride?
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride has a molecular weight of 323.62 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119384173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).