N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

C15H23NO2 — CID 63639940

IUPACN-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(C)cc1OCC1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-14(12(2)16-3)15(8-11)18-10-13-6-7-17-9-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyPCDXMBAUUDNWBY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.69
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine

N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (PubChem CID 63639940) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
PubChem CID63639940
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
SMILESCNC(C)c1ccc(C)cc1OCC1CCOC1
InChIInChI=1S/C15H23NO2/c1-11-4-5-14(12(2)16-3)15(8-11)18-10-13-6-7-17-9-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3
InChIKeyPCDXMBAUUDNWBY-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
3-[(2-fluoro-5-methylphenoxy)methyl]oxolane
CID 64853732
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
N-[1-[4-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 82976457
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62573045
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
potassium trifluoro-[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 63676225
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine (CID 63639940) is N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is CNC(C)c1ccc(C)cc1OCC1CCOC1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
The InChIKey is PCDXMBAUUDNWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-5-14(12(2)16-3)15(8-11)18-10-13-6-7-17-9-13/h4-5,8,12-13,16H,6-7,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine?
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 63639940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).