2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine

C16H27NO3 — CID 103487772

IUPAC2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCOCC(C)OC(C)C(NC)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-6-19-11-12(2)20-13(3)16(17-4)14-7-9-15(18-5)10-8-14/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyWRXJUYGWIXWEIY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds9

About 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine

2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 103487772) 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-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID103487772
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCCOCC(C)OC(C)C(NC)c1ccc(OC)cc1
InChIInChI=1S/C16H27NO3/c1-6-19-11-12(2)20-13(3)16(17-4)14-7-9-15(18-5)10-8-14/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyWRXJUYGWIXWEIY-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)propan-1-ol
CID 103489637
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103487571
2-(1-ethoxypropan-2-yloxy)-2-(4-methoxyphenyl)-N-methylethanamine
CID 103490183
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
2-methoxy-N-methyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 79616330
1-(4-methoxyphenyl)-N-methyl-2-propan-2-ylsulfonylpropan-1-amine
CID 64674623
N,2-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 43485559
1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
CID 107763976
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
1-(1-butan-2-yloxyethyl)-4-methoxybenzene
CID 101479468
1-(2,3-diethoxy-1-methoxypropyl)-4-methoxybenzene
CID 57089138

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 103487772) is 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine is CCOCC(C)OC(C)C(NC)c1ccc(OC)cc1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is WRXJUYGWIXWEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-6-19-11-12(2)20-13(3)16(17-4)14-7-9-15(18-5)10-8-14/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine?
2-(1-ethoxypropan-2-yloxy)-1-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 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-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 103487772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).