2-(3,4-dimethoxyphenyl)oxan-3-amine

C13H19NO3 — CID 79365049

IUPAC2-(3,4-dimethoxyphenyl)oxan-3-amine
SMILESCOc1ccc(C2OCCCC2N)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-11-6-5-9(8-12(11)16-2)13-10(14)4-3-7-17-13/h5-6,8,10,13H,3-4,7,14H2,1-2H3
InChIKeyFZXALCYAKIBKMX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)oxan-3-amine

2-(3,4-dimethoxyphenyl)oxan-3-amine (PubChem CID 79365049) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)oxan-3-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)oxan-3-amine
PubChem CID79365049
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(3,4-dimethoxyphenyl)oxan-3-amine
SMILESCOc1ccc(C2OCCCC2N)cc1OC
InChIInChI=1S/C13H19NO3/c1-15-11-6-5-9(8-12(11)16-2)13-10(14)4-3-7-17-13/h5-6,8,10,13H,3-4,7,14H2,1-2H3
InChIKeyFZXALCYAKIBKMX-UHFFFAOYSA-N
XLogP1.88
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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L-Normetanephrine
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)oxan-3-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)oxan-3-amine (CID 79365049) is 2-(3,4-dimethoxyphenyl)oxan-3-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)oxan-3-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)oxan-3-amine is COc1ccc(C2OCCCC2N)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)oxan-3-amine?
The InChIKey is FZXALCYAKIBKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-11-6-5-9(8-12(11)16-2)13-10(14)4-3-7-17-13/h5-6,8,10,13H,3-4,7,14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)oxan-3-amine?
2-(3,4-dimethoxyphenyl)oxan-3-amine has a molecular weight of 237.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)oxan-3-amine is sourced from PubChem (CID 79365049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).