1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine

C17H29NO2 — CID 103271705

IUPAC1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
SMILESCCOCC(NC(CC)c1ccccc1OC)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-15(14-10-8-9-11-17(14)19-5)18-16(13(3)4)12-20-7-2/h8-11,13,15-16,18H,6-7,12H2,1-5H3
InChIKeyZFOGKZDLMUBBLS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.80
Rot. Bonds9

About 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine

1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine (PubChem CID 103271705) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
PubChem CID103271705
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine
SMILESCCOCC(NC(CC)c1ccccc1OC)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-15(14-10-8-9-11-17(14)19-5)18-16(13(3)4)12-20-7-2/h8-11,13,15-16,18H,6-7,12H2,1-5H3
InChIKeyZFOGKZDLMUBBLS-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
2-N-[1-(2-methoxyphenyl)propyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944788
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188
N-(1-ethoxypropan-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 112633052
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
1-cyclopropyl-N-[1-(2-methoxyphenyl)propyl]propan-1-amine
CID 64918822

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine?
The IUPAC name of 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine (CID 103271705) is 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine?
The canonical SMILES for 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine is CCOCC(NC(CC)c1ccccc1OC)C(C)C.
What is the InChIKey of 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine?
The InChIKey is ZFOGKZDLMUBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-15(14-10-8-9-11-17(14)19-5)18-16(13(3)4)12-20-7-2/h8-11,13,15-16,18H,6-7,12H2,1-5H3.
What are the key properties of 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine?
1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[1-(2-methoxyphenyl)propyl]-3-methylbutan-2-amine is sourced from PubChem (CID 103271705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).