2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine

C16H25NO3 — CID 91834866

IUPAC2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCN(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-17(13-16-5-3-4-11-19-16)10-12-20-15-8-6-14(18-2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeySQZLGXOYWQNKCE-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine

2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 91834866) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
PubChem CID91834866
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1ccc(OCCN(C)CC2CCCCO2)cc1
InChIInChI=1S/C16H25NO3/c1-17(13-16-5-3-4-11-19-16)10-12-20-15-8-6-14(18-2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeySQZLGXOYWQNKCE-UHFFFAOYSA-N
XLogP2.57
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
2-[4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]phenyl]ethanethioamide
CID 61432522
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-[(2R)-oxan-2-yl]methanamine
CID 95761789
N-ethyl-3,4-dimethoxy-N-[[2-methyl-4-[2-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]ethoxy]phenyl]methyl]aniline
CID 142915173
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
N-methyl-2-[3-(methylaminomethyl)phenoxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62436955
4-methoxy-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 113305279
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine (CID 91834866) is 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine is COc1ccc(OCCN(C)CC2CCCCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is SQZLGXOYWQNKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17(13-16-5-3-4-11-19-16)10-12-20-15-8-6-14(18-2)7-9-15/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine?
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 91834866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).