2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C14H20ClN2O2+ — CID 8909346

IUPAC2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CCOc1ccccc1Cl)CC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(10-14(18)16-11-6-7-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)/p+1
InChIKeyKFPUSFUUZVCKEQ-UHFFFAOYSA-O
MW283.78 g/mol
LogP0.51
Rot. Bonds7

About 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 8909346) has the molecular formula C14H20ClN2O2+ and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID8909346
Molecular FormulaC14H20ClN2O2+
Molecular Weight283.78 g/mol
Exact Mass283.12
IUPAC Name2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CCOc1ccccc1Cl)CC(=O)NC1CC1
InChIInChI=1S/C14H19ClN2O2/c1-17(10-14(18)16-11-6-7-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)/p+1
InChIKeyKFPUSFUUZVCKEQ-UHFFFAOYSA-O
XLogP0.51
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(2-methoxyphenyl)methyl]-methylazanium
CID 8909591
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2,5-dichlorophenyl)sulfanylethyl]-methylazanium
CID 8909551
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(E)-3-phenylprop-2-enyl]azanium
CID 8909754
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 8909346) is 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is C[NH+](CCOc1ccccc1Cl)CC(=O)NC1CC1.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is KFPUSFUUZVCKEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19ClN2O2/c1-17(10-14(18)16-11-6-7-11)8-9-19-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3,(H,16,18)/p+1.
What are the key properties of 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 283.78 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8909346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).