N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine

C15H23NO2 — CID 62111410

IUPACN-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCNCC(OCC1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-14(8-12)15(9-16-2)18-11-13-6-7-17-10-13/h3-5,8,13,15-16H,6-7,9-11H2,1-2H3
InChIKeyBUKBCEHRCXBFGR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine

N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine (PubChem CID 62111410) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
PubChem CID62111410
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
SMILESCNCC(OCC1CCOC1)c1cccc(C)c1
InChIInChI=1S/C15H23NO2/c1-12-4-3-5-14(8-12)15(9-16-2)18-11-13-6-7-17-10-13/h3-5,8,13,15-16H,6-7,9-11H2,1-2H3
InChIKeyBUKBCEHRCXBFGR-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The IUPAC name of N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine (CID 62111410) is N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine is CNCC(OCC1CCOC1)c1cccc(C)c1.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
The InChIKey is BUKBCEHRCXBFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-3-5-14(8-12)15(9-16-2)18-11-13-6-7-17-10-13/h3-5,8,13,15-16H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine?
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine is sourced from PubChem (CID 62111410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).