1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

C16H25NO3 — CID 103987375

IUPAC1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3
InChIKeyWYTCKHARMRRWLP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine

1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (PubChem CID 103987375) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
PubChem CID103987375
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1cc(OC)ccc1OC
InChIInChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3
InChIKeyWYTCKHARMRRWLP-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
[1-(5-chloro-2-methoxyphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266240
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
CID 103987406
1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162788
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine (CID 103987375) is 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is CCNC(CC1CCOC1)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is WYTCKHARMRRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17-15(9-12-7-8-20-11-12)14-10-13(18-2)5-6-16(14)19-3/h5-6,10,12,15,17H,4,7-9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine?
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 103987375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).