2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine

C16H27NO3 — CID 103487616

IUPAC2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-5-18-10-13(4)19-11-16(17)14-6-8-15(9-7-14)20-12(2)3/h6-9,12-13,16H,5,10-11,17H2,1-4H3
InChIKeyCGBKOHGCIMIIGH-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.92
Rot. Bonds9

About 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 103487616) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID103487616
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCOCC(C)OCC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-5-18-10-13(4)19-11-16(17)14-6-8-15(9-7-14)20-12(2)3/h6-9,12-13,16H,5,10-11,17H2,1-4H3
InChIKeyCGBKOHGCIMIIGH-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
2-(1-ethoxypropan-2-yloxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 103487574
2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107524139
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 4201753
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
(1R)-1-(4-butan-2-yloxyphenyl)propan-1-amine
CID 78937309
2-propan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43184569

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 103487616) is 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine is CCOCC(C)OCC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is CGBKOHGCIMIIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-18-10-13(4)19-11-16(17)14-6-8-15(9-7-14)20-12(2)3/h6-9,12-13,16H,5,10-11,17H2,1-4H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 103487616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).