1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine

C16H25NO3 — CID 115846581

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-17-15(10-12-6-8-20-9-7-12)14-5-4-13(18-2)11-16(14)19-3/h4-5,11-12,15,17H,6-10H2,1-3H3
InChIKeyIMWCYQOJADFXFO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.78
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine

1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846581) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
PubChem CID115846581
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C16H25NO3/c1-17-15(10-12-6-8-20-9-7-12)14-5-4-13(18-2)11-16(14)19-3/h4-5,11-12,15,17H,6-10H2,1-3H3
InChIKeyIMWCYQOJADFXFO-UHFFFAOYSA-N
XLogP2.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(2,4-dimethoxyphenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82733681
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846607
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105115477
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine (CID 115846581) is 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine?
The InChIKey is IMWCYQOJADFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-15(10-12-6-8-20-9-7-12)14-5-4-13(18-2)11-16(14)19-3/h4-5,11-12,15,17H,6-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).