1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

C17H27NO — CID 115714685

IUPAC1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NC(C)C2CCOC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-11-8-12(2)17(13(3)9-11)15(5)18-14(4)16-6-7-19-10-16/h8-9,14-16,18H,6-7,10H2,1-5H3
InChIKeyOMJLUPXUNJRERA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds4

About 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine

1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (PubChem CID 115714685) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
PubChem CID115714685
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
SMILESCc1cc(C)c(C(C)NC(C)C2CCOC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-11-8-12(2)17(13(3)9-11)15(5)18-14(4)16-6-7-19-10-16/h8-9,14-16,18H,6-7,10H2,1-5H3
InChIKeyOMJLUPXUNJRERA-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
CID 113429377
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
[(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 106884319
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 104865494

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine (CID 115714685) is 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is Cc1cc(C)c(C(C)NC(C)C2CCOC2)c(C)c1.
What is the InChIKey of 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
The InChIKey is OMJLUPXUNJRERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-8-12(2)17(13(3)9-11)15(5)18-14(4)16-6-7-19-10-16/h8-9,14-16,18H,6-7,10H2,1-5H3.
What are the key properties of 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine?
1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 115714685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).