2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

C16H25NO3 — CID 61276602

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(OC)c1)C1CCOC1
InChIInChI=1S/C16H25NO3/c1-4-17-14(13-7-8-20-11-13)9-12-5-6-15(18-2)16(10-12)19-3/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3
InChIKeyLURBAYCLFBDDDC-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.26
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 61276602) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID61276602
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(OC)c1)C1CCOC1
InChIInChI=1S/C16H25NO3/c1-4-17-14(13-7-8-20-11-13)9-12-5-6-15(18-2)16(10-12)19-3/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3
InChIKeyLURBAYCLFBDDDC-UHFFFAOYSA-N
XLogP2.26
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 65330085
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]oxolane
CID 63015882
N-ethyl-2-(4-iodophenyl)-1-(oxolan-3-yl)ethanamine
CID 65478793
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
2-(4-chlorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 63015076
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
2-(2,4-dimethylphenoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104748373
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
[2-(3,4-dimethylphenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105215099
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 61276602) is 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(Cc1ccc(OC)c(OC)c1)C1CCOC1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is LURBAYCLFBDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17-14(13-7-8-20-11-13)9-12-5-6-15(18-2)16(10-12)19-3/h5-6,10,13-14,17H,4,7-9,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 61276602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).