N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine

C14H21NO2 — CID 102608238

IUPACN-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(COC2COC2)cc1
InChIInChI=1S/C14H21NO2/c1-11(7-15-2)13-5-3-12(4-6-13)8-17-14-9-16-10-14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyGMJHOKKNEANZBP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds6

About N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine

N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine (PubChem CID 102608238) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
PubChem CID102608238
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine
SMILESCNCC(C)c1ccc(COC2COC2)cc1
InChIInChI=1S/C14H21NO2/c1-11(7-15-2)13-5-3-12(4-6-13)8-17-14-9-16-10-14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKeyGMJHOKKNEANZBP-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine (CID 102608238) is N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine is CNCC(C)c1ccc(COC2COC2)cc1.
What is the InChIKey of N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine?
The InChIKey is GMJHOKKNEANZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(7-15-2)13-5-3-12(4-6-13)8-17-14-9-16-10-14/h3-6,11,14-15H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine?
N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(oxetan-3-yloxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 102608238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).