2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide

C16H24N2O3 — CID 61488754

IUPAC2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCCOc1ccc(CN)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11-16(19)18(2)13-5-6-13/h4,7,9,13H,3,5-6,8,10-11,17H2,1-2H3
InChIKeyWIWPHIVYIZIPEK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide

2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 61488754) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID61488754
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCCCOc1ccc(CN)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11-16(19)18(2)13-5-6-13/h4,7,9,13H,3,5-6,8,10-11,17H2,1-2H3
InChIKeyWIWPHIVYIZIPEK-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 113277202
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropylpropanamide
CID 43472100
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide (CID 61488754) is 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide is CCCOc1ccc(CN)c(OCC(=O)N(C)C2CC2)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is WIWPHIVYIZIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-20-14-7-4-12(10-17)15(9-14)21-11-16(19)18(2)13-5-6-13/h4,7,9,13H,3,5-6,8,10-11,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide?
2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-propoxyphenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 61488754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).