1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine

C16H25NO4 — CID 43184510

IUPAC1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCOc1ccc(C(N)COCC2CCCCO2)cc1OC
InChIInChI=1S/C16H25NO4/c1-18-15-7-6-12(9-16(15)19-2)14(17)11-20-10-13-5-3-4-8-21-13/h6-7,9,13-14H,3-5,8,10-11,17H2,1-2H3
InChIKeyAZMICPYWEYAUHI-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.29
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine

1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 43184510) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID43184510
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
SMILESCOc1ccc(C(N)COCC2CCCCO2)cc1OC
InChIInChI=1S/C16H25NO4/c1-18-15-7-6-12(9-16(15)19-2)14(17)11-20-10-13-5-3-4-8-21-13/h6-7,9,13-14H,3-5,8,10-11,17H2,1-2H3
InChIKeyAZMICPYWEYAUHI-UHFFFAOYSA-N
XLogP2.29
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
4-methoxy-3-(oxan-2-ylmethoxy)aniline
CID 43591699
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine (CID 43184510) is 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine is COc1ccc(C(N)COCC2CCCCO2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is AZMICPYWEYAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-18-15-7-6-12(9-16(15)19-2)14(17)11-20-10-13-5-3-4-8-21-13/h6-7,9,13-14H,3-5,8,10-11,17H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine?
1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 43184510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).