2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide

C15H24N2O3 — CID 16783572

IUPAC2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C(C)N)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)8-17-15(18)9-20-13-6-5-12(11(3)16)7-14(13)19-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyTTYGKZYIVLFPSR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide

2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 16783572) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
PubChem CID16783572
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
SMILESCOc1cc(C(C)N)ccc1OCC(=O)NCC(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)8-17-15(18)9-20-13-6-5-12(11(3)16)7-14(13)19-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18)
InChIKeyTTYGKZYIVLFPSR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 30120639
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(3-methylbutyl)acetamide
CID 61486644
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 7706642
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide (CID 16783572) is 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide is COc1cc(C(C)N)ccc1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is TTYGKZYIVLFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)8-17-15(18)9-20-13-6-5-12(11(3)16)7-14(13)19-4/h5-7,10-11H,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16783572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).