2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C16H25NO2 — CID 43183834

IUPAC2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COCC2CCCO2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18-9-14-5-4-6-19-14/h7-8,14-15H,4-6,9-10,17H2,1-3H3
InChIKeyFRNMXWOENUKGSQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.81
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 43183834) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID43183834
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COCC2CCCO2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18-9-14-5-4-6-19-14/h7-8,14-15H,4-6,9-10,17H2,1-3H3
InChIKeyFRNMXWOENUKGSQ-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283478
1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184286
1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184510
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111335534

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 43183834) is 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)COCC2CCCO2)c(C)c1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is FRNMXWOENUKGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18-9-14-5-4-6-19-14/h7-8,14-15H,4-6,9-10,17H2,1-3H3.
What are the key properties of 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 43183834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).