2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide

C15H22N2O3 — CID 61488291

IUPAC2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(CN)ccc1OC)C1CC1
InChIInChI=1S/C15H22N2O3/c1-3-17(12-5-6-12)15(18)10-20-14-8-11(9-16)4-7-13(14)19-2/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3
InChIKeyNUBIOXCWKOSIBB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.54
Rot. Bonds7

About 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide

2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488291) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488291
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(CN)ccc1OC)C1CC1
InChIInChI=1S/C15H22N2O3/c1-3-17(12-5-6-12)15(18)10-20-14-8-11(9-16)4-7-13(14)19-2/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3
InChIKeyNUBIOXCWKOSIBB-UHFFFAOYSA-N
XLogP1.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
2-[3-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487869
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 107700484
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-(2-amino-5-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957324
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-cyclopropyl-N-ethylacetamide
CID 62097639

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide (CID 61488291) is 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1cc(CN)ccc1OC)C1CC1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is NUBIOXCWKOSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(12-5-6-12)15(18)10-20-14-8-11(9-16)4-7-13(14)19-2/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 278.35 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).