N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine

C14H21NO2 — CID 61287998

IUPACN-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyJESDJJKGAKJSDV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine

N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine (PubChem CID 61287998) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
PubChem CID61287998
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCNC(C)c1ccccc1OC1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyJESDJJKGAKJSDV-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
N-methyl-1-[2-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140919
N-ethyl-1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 115669729
1-[2-(4,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 114341296
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
1-cyclopropyloxy-2-(1-methylsulfanylethyl)benzene
CID 146621005
1-[4-bromo-2-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 107134569
1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine (CID 61287998) is N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine is CNC(C)c1ccccc1OC1CCOCC1.
What is the InChIKey of N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The InChIKey is JESDJJKGAKJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(15-2)13-5-3-4-6-14(13)17-12-7-9-16-10-8-12/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine?
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 61287998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).