N-methyl-N-(oxetan-3-ylmethyl)aniline

C11H15NO — CID 130694307

IUPACN-methyl-N-(oxetan-3-ylmethyl)aniline
SMILESCN(CC1COC1)c1ccccc1
InChIInChI=1S/C11H15NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyGHYVQPHIEAKFPP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-N-(oxetan-3-ylmethyl)aniline

N-methyl-N-(oxetan-3-ylmethyl)aniline (PubChem CID 130694307) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-N-(oxetan-3-ylmethyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(oxetan-3-ylmethyl)aniline
PubChem CID130694307
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methyl-N-(oxetan-3-ylmethyl)aniline
SMILESCN(CC1COC1)c1ccccc1
InChIInChI=1S/C11H15NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyGHYVQPHIEAKFPP-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)aniline?
The IUPAC name of N-methyl-N-(oxetan-3-ylmethyl)aniline (CID 130694307) is N-methyl-N-(oxetan-3-ylmethyl)aniline.
What is the SMILES notation for N-methyl-N-(oxetan-3-ylmethyl)aniline?
The canonical SMILES for N-methyl-N-(oxetan-3-ylmethyl)aniline is CN(CC1COC1)c1ccccc1.
What is the InChIKey of N-methyl-N-(oxetan-3-ylmethyl)aniline?
The InChIKey is GHYVQPHIEAKFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12(7-10-8-13-9-10)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of N-methyl-N-(oxetan-3-ylmethyl)aniline?
N-methyl-N-(oxetan-3-ylmethyl)aniline has a molecular weight of 177.25 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxetan-3-ylmethyl)aniline is sourced from PubChem (CID 130694307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).