2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

C17H27NO — CID 105024778

IUPAC2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(C)cccc1C)C1COC(C)C1
InChIInChI=1S/C17H27NO/c1-5-18-17(15-9-14(4)19-11-15)10-16-12(2)7-6-8-13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3
InChIKeyPUVOFBWRSHSELC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine

2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 105024778) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID105024778
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1c(C)cccc1C)C1COC(C)C1
InChIInChI=1S/C17H27NO/c1-5-18-17(15-9-14(4)19-11-15)10-16-12(2)7-6-8-13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3
InChIKeyPUVOFBWRSHSELC-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115842776
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104996471
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105000580

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine (CID 105024778) is 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1c(C)cccc1C)C1COC(C)C1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is PUVOFBWRSHSELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-18-17(15-9-14(4)19-11-15)10-16-12(2)7-6-8-13(16)3/h6-8,14-15,17-18H,5,9-11H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105024778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).