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

C13H19NO2 — CID 61288976

IUPAC1-[2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OC1CCOCC1
InChIInChI=1S/C13H19NO2/c1-10(14)12-4-2-3-5-13(12)16-11-6-8-15-9-7-11/h2-5,10-11H,6-9,14H2,1H3
InChIKeyWGFNZOYWVICGPD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.26
Rot. Bonds3

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

1-[2-(oxan-4-yloxy)phenyl]ethanamine (PubChem CID 61288976) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(oxan-4-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(oxan-4-yloxy)phenyl]ethanamine
PubChem CID61288976
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-(oxan-4-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1OC1CCOCC1
InChIInChI=1S/C13H19NO2/c1-10(14)12-4-2-3-5-13(12)16-11-6-8-15-9-7-11/h2-5,10-11H,6-9,14H2,1H3
InChIKeyWGFNZOYWVICGPD-UHFFFAOYSA-N
XLogP2.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxetan-3-yloxy)phenyl]ethanamine
CID 83484227
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
(1S)-1-[2-(3-methylcyclohexyl)oxyphenyl]ethanamine
CID 78937930
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
1-[2-(1,1-dioxothiolan-3-yl)oxyphenyl]ethanamine
CID 54914959
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(oxan-4-yloxy)phenyl]ethanamine (CID 61288976) is 1-[2-(oxan-4-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(oxan-4-yloxy)phenyl]ethanamine is CC(N)c1ccccc1OC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-yloxy)phenyl]ethanamine?
The InChIKey is WGFNZOYWVICGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14)12-4-2-3-5-13(12)16-11-6-8-15-9-7-11/h2-5,10-11H,6-9,14H2,1H3.
What are the key properties of 1-[2-(oxan-4-yloxy)phenyl]ethanamine?
1-[2-(oxan-4-yloxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yloxy)phenyl]ethanamine is sourced from PubChem (CID 61288976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).