3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine

C18H31NO2 — CID 116717260

IUPAC3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-11-19-16(17(7-2)21-8-3)13-15-12-14(4)9-10-18(15)20-5/h9-10,12,16-17,19H,6-8,11,13H2,1-5H3
InChIKeyNIJMBOACTUVYSL-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.73
Rot. Bonds10

About 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine (PubChem CID 116717260) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
PubChem CID116717260
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C(CC)OCC
InChIInChI=1S/C18H31NO2/c1-6-11-19-16(17(7-2)21-8-3)13-15-12-14(4)9-10-18(15)20-5/h9-10,12,16-17,19H,6-8,11,13H2,1-5H3
InChIKeyNIJMBOACTUVYSL-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethoxy-1-(2-methoxy-5-methylphenyl)pentan-2-yl]hydrazine
CID 105271132
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
3-ethoxy-1-(2-methoxy-5-methylphenyl)hexan-2-amine
CID 116717547
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237
1-(5-bromo-2-methoxyphenyl)-3-methoxy-N-propylhexan-2-amine
CID 116719357

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine (CID 116717260) is 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1cc(C)ccc1OC)C(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is NIJMBOACTUVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-11-19-16(17(7-2)21-8-3)13-15-12-14(4)9-10-18(15)20-5/h9-10,12,16-17,19H,6-8,11,13H2,1-5H3.
What are the key properties of 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 116717260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).