1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

C13H20N2O — CID 116950716

IUPAC1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1CNC1
InChIInChI=1S/C13H20N2O/c1-9-6-10(4-5-12(9)16-3)13(14-2)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyZWEOUEQFXXZEFY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.48
Rot. Bonds4

About 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 116950716) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID116950716
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(C)c1)C1CNC1
InChIInChI=1S/C13H20N2O/c1-9-6-10(4-5-12(9)16-3)13(14-2)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3
InChIKeyZWEOUEQFXXZEFY-UHFFFAOYSA-N
XLogP1.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
1-(1,4-dioxan-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 62800276
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 65156222
1-(azetidin-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116950726
2,2-difluoro-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 80605627
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575
1-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057729
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (CID 116950716) is 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(C)c1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is ZWEOUEQFXXZEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-10(4-5-12(9)16-3)13(14-2)11-7-15-8-11/h4-6,11,13-15H,7-8H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 116950716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).