2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide

C16H24N2O3 — CID 61488503

IUPAC2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(CCN)cc1OC)C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-18(13-5-6-13)16(19)11-21-14-7-4-12(8-9-17)10-15(14)20-2/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3
InChIKeyGDECHINEFBUILY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds8

About 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide

2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488503) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488503
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(CCN)cc1OC)C1CC1
InChIInChI=1S/C16H24N2O3/c1-3-18(13-5-6-13)16(19)11-21-14-7-4-12(8-9-17)10-15(14)20-2/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3
InChIKeyGDECHINEFBUILY-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
2-[3-methoxy-4-(2-methylidenebutoxy)phenyl]ethanamine
CID 66037111
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide (CID 61488503) is 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1ccc(CCN)cc1OC)C1CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is GDECHINEFBUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-18(13-5-6-13)16(19)11-21-14-7-4-12(8-9-17)10-15(14)20-2/h4,7,10,13H,3,5-6,8-9,11,17H2,1-2H3.
What are the key properties of 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).