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

C11H16Cl2N2O2 — CID 119383062

IUPACN-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2.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
InChIKeyGWKQEGAQRYMYHA-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.61
Rot. Bonds6

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

N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride (PubChem CID 119383062) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
PubChem CID119383062
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC NameN-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCl.NCCNC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2.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
InChIKeyGWKQEGAQRYMYHA-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119382925
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3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
N-(2-aminoethyl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 119384068
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39088895
3-(2-chlorophenoxy)-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103861871
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
N'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66004697

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride (CID 119383062) is N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride is Cl.NCCNC(=O)CCOc1ccccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride?
The InChIKey is GWKQEGAQRYMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2.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-chlorophenoxy)propanamide;hydrochloride?
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.61, 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-chlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119383062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).