1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

C15H23NO3 — CID 65352738

IUPAC1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyHBNGJGGBOGJAQN-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.63
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine

1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 65352738) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID65352738
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1COCCO1
InChIInChI=1S/C15H23NO3/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyHBNGJGGBOGJAQN-UHFFFAOYSA-N
XLogP1.63
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114287335
N-[1-(1,4-dioxan-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 65352285
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352785
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115824369
N-[2-(2-methoxyphenyl)-1-(oxan-3-yl)ethyl]propan-1-amine
CID 63015432
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
N-ethyl-2-(2-methoxyphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155592
N-[2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352752
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 65352738) is 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is HBNGJGGBOGJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 65352738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).