N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine

C16H25NO3 — CID 43591779

IUPACN-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-3-17-11-13-7-6-9-15(18-2)16(13)20-12-14-8-4-5-10-19-14/h6-7,9,14,17H,3-5,8,10-12H2,1-2H3
InChIKeyDDBIOLXPQDIUDY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds7

About N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 43591779) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID43591779
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCC1CCCCO1
InChIInChI=1S/C16H25NO3/c1-3-17-11-13-7-6-9-15(18-2)16(13)20-12-14-8-4-5-10-19-14/h6-7,9,14,17H,3-5,8,10-12H2,1-2H3
InChIKeyDDBIOLXPQDIUDY-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804284
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]heptan-1-amine
CID 54847644
N-[[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 54850191
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
N-[[3-ethoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158829
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992776
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine (CID 43591779) is N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCC1CCCCO1.
What is the InChIKey of N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is DDBIOLXPQDIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-17-11-13-7-6-9-15(18-2)16(13)20-12-14-8-4-5-10-19-14/h6-7,9,14,17H,3-5,8,10-12H2,1-2H3.
What are the key properties of N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43591779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).