N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine

C16H25NO3 — CID 107134501

IUPACN-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC)cc1OC1CCCOC1
InChIInChI=1S/C16H25NO3/c1-4-17-12(2)15-8-7-13(18-3)10-16(15)20-14-6-5-9-19-11-14/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3
InChIKeyBQEHMRGXZJERDA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine

N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine (PubChem CID 107134501) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
PubChem CID107134501
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OC)cc1OC1CCCOC1
InChIInChI=1S/C16H25NO3/c1-4-17-12(2)15-8-7-13(18-3)10-16(15)20-14-6-5-9-19-11-14/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3
InChIKeyBQEHMRGXZJERDA-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
CID 63640291
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
1-[5-methoxy-2-(oxolan-3-yloxy)phenyl]butan-2-amine
CID 63563631
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-[2-(oxan-3-yloxy)-4-propoxyphenyl]propan-2-amine
CID 107137097
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434
1-[3-chloro-4-(oxolan-3-yloxy)phenyl]-N-ethylethanamine
CID 63557845

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine (CID 107134501) is N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine is CCNC(C)c1ccc(OC)cc1OC1CCCOC1.
What is the InChIKey of N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine?
The InChIKey is BQEHMRGXZJERDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17-12(2)15-8-7-13(18-3)10-16(15)20-14-6-5-9-19-11-14/h7-8,10,12,14,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine?
N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methoxy-2-(oxan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 107134501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).