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

C15H23NO — CID 65154946

IUPAC2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9,16H2,1-3H3
InChIKeyIQAZTFYFDITNPI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.18
Rot. Bonds3

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

2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 65154946) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID65154946
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9,16H2,1-3H3
InChIKeyIQAZTFYFDITNPI-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
CID 113391540
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 65154946) is 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CC2CCCO2)c(C)c1.
What is the InChIKey of 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is IQAZTFYFDITNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9,16H2,1-3H3.
What are the key properties of 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 65154946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).