1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine

C13H19NO2 — CID 63557142

IUPAC1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCc1ccc(OC2CCOC2)c(C(C)N)c1
InChIInChI=1S/C13H19NO2/c1-9-3-4-13(12(7-9)10(2)14)16-11-5-6-15-8-11/h3-4,7,10-11H,5-6,8,14H2,1-2H3
InChIKeyXCKPMZBCZQYTOE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds3

About 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine

1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine (PubChem CID 63557142) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
PubChem CID63557142
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
SMILESCc1ccc(OC2CCOC2)c(C(C)N)c1
InChIInChI=1S/C13H19NO2/c1-9-3-4-13(12(7-9)10(2)14)16-11-5-6-15-8-11/h3-4,7,10-11H,5-6,8,14H2,1-2H3
InChIKeyXCKPMZBCZQYTOE-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-bromo-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556778
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135051
(1R)-1-[3-bromo-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 78945077
5-methyl-2-(oxolan-3-yloxy)benzenesulfonamide
CID 63557171
(1R)-1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63558652
N-[1-[4-methyl-2-(oxolan-3-yloxy)phenyl]ethyl]propan-1-amine
CID 63640291
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
CID 63563818

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine (CID 63557142) is 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine is Cc1ccc(OC2CCOC2)c(C(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine?
The InChIKey is XCKPMZBCZQYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-3-4-13(12(7-9)10(2)14)16-11-5-6-15-8-11/h3-4,7,10-11H,5-6,8,14H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine?
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine is sourced from PubChem (CID 63557142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).