3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine

C17H29NO2 — CID 116721401

IUPAC3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OCC)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-18-15(17(13(3)4)20-7-2)12-14-10-8-9-11-16(14)19-5/h8-11,13,15,17-18H,6-7,12H2,1-5H3
InChIKeyLKRZVJJRAZLMFS-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.28
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine

3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 116721401) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID116721401
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1ccccc1OC)C(OCC)C(C)C
InChIInChI=1S/C17H29NO2/c1-6-18-15(17(13(3)4)20-7-2)12-14-10-8-9-11-16(14)19-5/h8-11,13,15,17-18H,6-7,12H2,1-5H3
InChIKeyLKRZVJJRAZLMFS-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116720261
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
1,1-diethoxy-N-ethyl-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 104794131
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
3-ethoxy-N,4-dimethyl-1-(2-methylphenyl)pentan-2-amine
CID 116721266
[1-(2-methoxyphenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105289474
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine (CID 116721401) is 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine is CCNC(Cc1ccccc1OC)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is LKRZVJJRAZLMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18-15(17(13(3)4)20-7-2)12-14-10-8-9-11-16(14)19-5/h8-11,13,15,17-18H,6-7,12H2,1-5H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine?
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.28, 9 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-methoxyphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 116721401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).