3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide

C16H24N2O2 — CID 62627959

IUPAC3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
SMILESCc1cc(CCN)cc(C)c1OCCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O2/c1-11-9-13(5-7-17)10-12(2)16(11)20-8-6-15(19)18-14-3-4-14/h9-10,14H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyOBDRYUJJZWRQAU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.85
Rot. Bonds7

About 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide

3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide (PubChem CID 62627959) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
PubChem CID62627959
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide
SMILESCc1cc(CCN)cc(C)c1OCCC(=O)NC1CC1
InChIInChI=1S/C16H24N2O2/c1-11-9-13(5-7-17)10-12(2)16(11)20-8-6-15(19)18-14-3-4-14/h9-10,14H,3-8,17H2,1-2H3,(H,18,19)
InChIKeyOBDRYUJJZWRQAU-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 112620994
N-cyclopropyl-3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79887944
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 107723835
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
3-(2-amino-6-fluorophenoxy)-N-cyclopropylpropanamide
CID 104831210
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide (CID 62627959) is 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide is Cc1cc(CCN)cc(C)c1OCCC(=O)NC1CC1.
What is the InChIKey of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide?
The InChIKey is OBDRYUJJZWRQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-13(5-7-17)10-12(2)16(11)20-8-6-15(19)18-14-3-4-14/h9-10,14H,3-8,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide?
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 62627959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).