N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine

C16H25NO — CID 113362151

IUPACN-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(CC1CCOC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-13(3)15(8-12(11)2)16(17-4)9-14-5-6-18-10-14/h7-8,14,16-17H,5-6,9-10H2,1-4H3
InChIKeyJOPOKPVYBBUHKT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine

N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine (PubChem CID 113362151) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
PubChem CID113362151
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine
SMILESCNC(CC1CCOC1)c1cc(C)c(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-7-13(3)15(8-12(11)2)16(17-4)9-14-5-6-18-10-14/h7-8,14,16-17H,5-6,9-10H2,1-4H3
InChIKeyJOPOKPVYBBUHKT-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110
5-methyl-3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 113362130
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 102759720
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 114330407
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine (CID 113362151) is N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine is CNC(CC1CCOC1)c1cc(C)c(C)cc1C.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine?
The InChIKey is JOPOKPVYBBUHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-13(3)15(8-12(11)2)16(17-4)9-14-5-6-18-10-14/h7-8,14,16-17H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine?
N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-3-yl)-1-(2,4,5-trimethylphenyl)ethanamine is sourced from PubChem (CID 113362151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).