N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine

C13H19NO2 — CID 102607797

IUPACN-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCNCC(OC1COC1)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10-5-3-4-6-12(10)13(7-14-2)16-11-8-15-9-11/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyOASVITBREYZUNI-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine

N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine (PubChem CID 102607797) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
PubChem CID102607797
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
SMILESCNCC(OC1COC1)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10-5-3-4-6-12(10)13(7-14-2)16-11-8-15-9-11/h3-6,11,13-14H,7-9H2,1-2H3
InChIKeyOASVITBREYZUNI-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
CID 102607696
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
CID 102607756
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
2-(2-bromophenyl)-2-cycloheptyloxy-N-methylethanamine
CID 62109896
2-(2-bromophenyl)-2-(3,5-dimethylcyclohexyl)oxy-N-methylethanamine
CID 64732436
N-methyl-2-(oxan-4-yloxy)-2-phenylethanamine
CID 62107330
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane
CID 114775056
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
CID 106667108

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine (CID 102607797) is N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine is CNCC(OC1COC1)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
The InChIKey is OASVITBREYZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-5-3-4-6-12(10)13(7-14-2)16-11-8-15-9-11/h3-6,11,13-14H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine?
N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine is sourced from PubChem (CID 102607797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).