1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine

C15H24N2O2 — CID 116906242

IUPAC1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(C(C2CNC2)N(C)C)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-10-6-14(19-5)12(7-13(10)18-4)15(17(2)3)11-8-16-9-11/h6-7,11,15-16H,8-9H2,1-5H3
InChIKeyDBIBXEWOUWAHSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds5

About 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine

1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine (PubChem CID 116906242) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
PubChem CID116906242
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
SMILESCOc1cc(C(C2CNC2)N(C)C)c(OC)cc1C
InChIInChI=1S/C15H24N2O2/c1-10-6-14(19-5)12(7-13(10)18-4)15(17(2)3)11-8-16-9-11/h6-7,11,15-16H,8-9H2,1-5H3
InChIKeyDBIBXEWOUWAHSU-UHFFFAOYSA-N
XLogP1.83
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-yl)-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116906240
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
(2,5-dimethoxy-4-methylphenyl)-(dimethylamino)methanethiol
CID 116909428
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
3-(4-methoxy-2,5-dimethylphenyl)sulfanylazetidine
CID 117032983
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521
1-(azetidin-3-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 116950716
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
N-(4-methoxy-3-methylphenyl)-N-methylazetidin-3-amine
CID 117040526
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine (CID 116906242) is 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine is COc1cc(C(C2CNC2)N(C)C)c(OC)cc1C.
What is the InChIKey of 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine?
The InChIKey is DBIBXEWOUWAHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-14(19-5)12(7-13(10)18-4)15(17(2)3)11-8-16-9-11/h6-7,11,15-16H,8-9H2,1-5H3.
What are the key properties of 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine?
1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116906242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).