1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine

C17H27NO3 — CID 63727807

IUPAC1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCc1cc(C(C)NCC2CCOCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-13(18-11-14-6-8-21-9-7-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyUQZQWKCLCCFZNG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds7

About 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 63727807) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID63727807
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCOCc1cc(C(C)NCC2CCOCC2)ccc1OC
InChIInChI=1S/C17H27NO3/c1-13(18-11-14-6-8-21-9-7-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3
InChIKeyUQZQWKCLCCFZNG-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine with MolForge

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Related Compounds

1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 104537926
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 60855240
1-cyclopropyl-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-2-amine
CID 63989729
N-ethyl-1-[4-methoxy-3-(oxan-4-ylsulfanylmethyl)phenyl]ethanamine
CID 64625971
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
2-methoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 115728707
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-2-methylsulfanylpropan-1-amine
CID 115895571
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
2-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 115724331
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
N-(furan-3-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 115711465

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine (CID 63727807) is 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine is COCc1cc(C(C)NCC2CCOCC2)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is UQZQWKCLCCFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-11-14-6-8-21-9-7-14)15-4-5-17(20-3)16(10-15)12-19-2/h4-5,10,13-14,18H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine?
1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 63727807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).