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

C15H23NO — CID 63563049

IUPAC2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1CCOC1
InChIInChI=1S/C15H23NO/c1-11-6-12(2)8-13(7-11)9-15(16-3)14-4-5-17-10-14/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyNUFQAQDRRWQYEH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.47
Rot. Bonds4

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

2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 63563049) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID63563049
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1CCOC1
InChIInChI=1S/C15H23NO/c1-11-6-12(2)8-13(7-11)9-15(16-3)14-4-5-17-10-14/h6-8,14-16H,4-5,9-10H2,1-3H3
InChIKeyNUFQAQDRRWQYEH-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936078
2-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 64774421
1-(3,5-dimethylcyclohexyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 64731313
N-methyl-1-(oxolan-3-yl)pent-3-yn-1-amine
CID 65330413
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
[2-(3,4-dimethylphenyl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105215099
N-methyl-2-methylsulfanyl-1-(oxolan-3-yl)ethanamine
CID 63564188
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine (CID 63563049) is 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(Cc1cc(C)cc(C)c1)C1CCOC1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is NUFQAQDRRWQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-12(2)8-13(7-11)9-15(16-3)14-4-5-17-10-14/h6-8,14-16H,4-5,9-10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 63563049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).