1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

C15H23NO — CID 113362110

IUPAC1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO/c1-11-4-5-12(2)14(8-11)15(16-3)9-13-6-7-17-10-13/h4-5,8,13,15-16H,6-7,9-10H2,1-3H3
InChIKeyCBRMJFAURVOLAS-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 113362110) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID113362110
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO/c1-11-4-5-12(2)14(8-11)15(16-3)9-13-6-7-17-10-13/h4-5,8,13,15-16H,6-7,9-10H2,1-3H3
InChIKeyCBRMJFAURVOLAS-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 113362151
5-methyl-3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113362130
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
(2S)-2-(2,5-dimethylphenyl)-2-(methylamino)ethanol
CID 55276234
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
(1R)-1-(2,5-dimethylphenyl)-2-[ethyl-[[(3R)-oxolan-3-yl]methyl]amino]ethanol
CID 96519387
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 113362110) is 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is CNC(CC1CCOC1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is CBRMJFAURVOLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-5-12(2)14(8-11)15(16-3)9-13-6-7-17-10-13/h4-5,8,13,15-16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 113362110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).