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

C16H27NO2 — CID 64532794

IUPAC3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
SMILESCCNC(Cc1cc(C)ccc1OC)C(C)OCC
InChIInChI=1S/C16H27NO2/c1-6-17-15(13(4)19-7-2)11-14-10-12(3)8-9-16(14)18-5/h8-10,13,15,17H,6-7,11H2,1-5H3
InChIKeyWNCDUTSWDWLPAJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.95
Rot. Bonds8

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

3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine (PubChem CID 64532794) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
PubChem CID64532794
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
SMILESCCNC(Cc1cc(C)ccc1OC)C(C)OCC
InChIInChI=1S/C16H27NO2/c1-6-17-15(13(4)19-7-2)11-14-10-12(3)8-9-16(14)18-5/h8-10,13,15,17H,6-7,11H2,1-5H3
InChIKeyWNCDUTSWDWLPAJ-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 64533791
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
[3-ethoxy-1-(2-methoxy-5-methylphenyl)pentan-2-yl]hydrazine
CID 105271132
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1,1-diethoxy-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 79495090
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
1-(5-bromo-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717971
3-(2,5-dimethylphenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495019
1-(5-bromo-2-methoxyphenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115817634
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115826696

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine (CID 64532794) is 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine is CCNC(Cc1cc(C)ccc1OC)C(C)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine?
The InChIKey is WNCDUTSWDWLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-17-15(13(4)19-7-2)11-14-10-12(3)8-9-16(14)18-5/h8-10,13,15,17H,6-7,11H2,1-5H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine?
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine is sourced from PubChem (CID 64532794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).