1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine

C15H23NO3 — CID 43184286

IUPAC1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCOc1ccc(C(N)COCC2CCCCO2)cc1
InChIInChI=1S/C15H23NO3/c1-17-13-7-5-12(6-8-13)15(16)11-18-10-14-4-2-3-9-19-14/h5-8,14-15H,2-4,9-11,16H2,1H3
InChIKeyZKHBKYYNRQCHNU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine

1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 43184286) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID43184286
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCOc1ccc(C(N)COCC2CCCCO2)cc1
InChIInChI=1S/C15H23NO3/c1-17-13-7-5-12(6-8-13)15(16)11-18-10-14-4-2-3-9-19-14/h5-8,14-15H,2-4,9-11,16H2,1H3
InChIKeyZKHBKYYNRQCHNU-UHFFFAOYSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184510
2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 66323024
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanamine
CID 55066538
[1-(4-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267425
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]propan-1-amine
CID 65158359
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine (CID 43184286) is 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine is COc1ccc(C(N)COCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is ZKHBKYYNRQCHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-13-7-5-12(6-8-13)15(16)11-18-10-14-4-2-3-9-19-14/h5-8,14-15H,2-4,9-11,16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 43184286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).