N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride

C11H16ClFN2O2 — CID 119382925

IUPACN-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCOc1ccccc1F
InChIInChI=1S/C11H15FN2O2.ClH/c12-9-3-1-2-4-10(9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyJWHWAVZCODKLSC-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.09
Rot. Bonds6

About N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride

N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride (PubChem CID 119382925) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
PubChem CID119382925
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC NameN-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCOc1ccccc1F
InChIInChI=1S/C11H15FN2O2.ClH/c12-9-3-1-2-4-10(9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyJWHWAVZCODKLSC-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43388959
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
N-(2-aminoethyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119384068
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
(2S)-3-[3-(2-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833559
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride (CID 119382925) is N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride is Cl.NCCNC(=O)CCOc1ccccc1F.
What is the InChIKey of N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride?
The InChIKey is JWHWAVZCODKLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2.ClH/c12-9-3-1-2-4-10(9)16-8-5-11(15)14-7-6-13;/h1-4H,5-8,13H2,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119382925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).