2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine

C15H25NO2 — CID 116717712

IUPAC2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-5-9-14(18-6-2)15(16-3)12-10-7-8-11-13(12)17-4/h7-8,10-11,14-16H,5-6,9H2,1-4H3
InChIKeyBZEOHLRRMZLPFK-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.16
Rot. Bonds8

About 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine

2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine (PubChem CID 116717712) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
PubChem CID116717712
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-5-9-14(18-6-2)15(16-3)12-10-7-8-11-13(12)17-4/h7-8,10-11,14-16H,5-6,9H2,1-4H3
InChIKeyBZEOHLRRMZLPFK-UHFFFAOYSA-N
XLogP3.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
[2-ethoxy-1-[2-(2-methoxyethoxy)phenyl]pentyl]hydrazine
CID 105271536
[2-ethoxy-1-(5-fluoro-2-methoxyphenyl)pentyl]hydrazine
CID 105271459
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
1-(2,5-dimethoxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718117
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine (CID 116717712) is 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1ccccc1OC.
What is the InChIKey of 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine?
The InChIKey is BZEOHLRRMZLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-9-14(18-6-2)15(16-3)12-10-7-8-11-13(12)17-4/h7-8,10-11,14-16H,5-6,9H2,1-4H3.
What are the key properties of 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine?
2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-methoxyphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 116717712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).