2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

C17H29NO2 — CID 103487574

IUPAC2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-19-11-14(4)20-12-17(18)16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12,18H2,1-4H3
InChIKeyKSBACAKBDYUGPG-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.33
Rot. Bonds9

About 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine

2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 103487574) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID103487574
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-5-19-11-14(4)20-12-17(18)16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12,18H2,1-4H3
InChIKeyKSBACAKBDYUGPG-UHFFFAOYSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103487616
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
2-(2-methylpentoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103283433
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107524139
1-[4-(2-methylpropyl)phenyl]-2-phenoxyethanamine
CID 43095754
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
3-ethoxy-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 54122472

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 103487574) is 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is CCOCC(C)OCC(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is KSBACAKBDYUGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-19-11-14(4)20-12-17(18)16-8-6-15(7-9-16)10-13(2)3/h6-9,13-14,17H,5,10-12,18H2,1-4H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine?
2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 103487574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).