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

C13H19NO2 — CID 160804059

IUPAC1-[4-(oxan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(14)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeySDLMZWZCKFQVFY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds3

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

1-[4-(oxan-2-yloxy)phenyl]ethanamine (PubChem CID 160804059) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(oxan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(oxan-2-yloxy)phenyl]ethanamine
PubChem CID160804059
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[4-(oxan-2-yloxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C13H19NO2/c1-10(14)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,10,13H,2-4,9,14H2,1H3
InChIKeySDLMZWZCKFQVFY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane
CID 90796647
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-[4-(4,4-dimethylhexan-3-yl)phenoxy]oxane
CID 123479898
4-(oxan-2-yloxy)phenol
CID 11745519
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
CID 168763543
CID 168763543
2-(4-methoxyphenoxy)oxolane
CID 135060561
4-(oxan-2-yloxy)benzoic acid
CID 11183645
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568
triethoxy-[4-(oxan-2-yloxy)phenyl]silane
CID 71105884

Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(oxan-2-yloxy)phenyl]ethanamine (CID 160804059) is 1-[4-(oxan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(oxan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(oxan-2-yloxy)phenyl]ethanamine is CC(N)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 1-[4-(oxan-2-yloxy)phenyl]ethanamine?
The InChIKey is SDLMZWZCKFQVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14)11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h5-8,10,13H,2-4,9,14H2,1H3.
What are the key properties of 1-[4-(oxan-2-yloxy)phenyl]ethanamine?
1-[4-(oxan-2-yloxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 160804059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).