2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide

C15H24N2O3 — CID 60905217

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)17-15(18)11(3)20-14-9-12(7-8-16)5-6-13(14)19-4/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyZIKQXBNDZJTMPV-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds7

About 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide

2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide (PubChem CID 60905217) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
PubChem CID60905217
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCN)cc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)17-15(18)11(3)20-14-9-12(7-8-16)5-6-13(14)19-4/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18)
InChIKeyZIKQXBNDZJTMPV-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N,N-diethylpropanamide
CID 60905451
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
2-[4-(aminomethyl)-2-chlorophenoxy]-N-propan-2-ylpropanamide
CID 54984073
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
ethyl 2-[5-(2-aminoethyl)-2-methoxyphenoxy]butanoate
CID 64660568
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
CID 107739613
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide (CID 60905217) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide is COc1ccc(CCN)cc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is ZIKQXBNDZJTMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)17-15(18)11(3)20-14-9-12(7-8-16)5-6-13(14)19-4/h5-6,9-11H,7-8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide?
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 60905217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).