N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline

C13H20N2O — CID 115207226

IUPACN-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1CNC1
InChIInChI=1S/C13H20N2O/c1-9-4-12(13(16-3)5-10(9)2)15-8-11-6-14-7-11/h4-5,11,14-15H,6-8H2,1-3H3
InChIKeyOFQOTHBOPHJLCY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline

N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline (PubChem CID 115207226) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
PubChem CID115207226
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
SMILESCOc1cc(C)c(C)cc1NCC1CNC1
InChIInChI=1S/C13H20N2O/c1-9-4-12(13(16-3)5-10(9)2)15-8-11-6-14-7-11/h4-5,11,14-15H,6-8H2,1-3H3
InChIKeyOFQOTHBOPHJLCY-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-ylmethyl)-2,5-dimethoxy-4-methylsulfanylaniline
CID 115207328
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
N-[(4-aminocyclohexyl)methyl]-4-methoxy-2,5-dimethylaniline
CID 115213315
N-(azetidin-3-ylmethyl)-2-(2,5-dimethoxy-4-methylphenyl)ethanamine
CID 115207803
2,5-dimethoxy-4-methyl-N-(morpholin-2-ylmethyl)aniline
CID 115237476
1-(azetidin-3-yl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 115207484
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
N-(2-chloroethyl)-2-methoxy-4,5-dimethylaniline
CID 115214578
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
N-(azetidin-3-ylmethyl)-3-methylpyridin-4-amine
CID 130854740
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline (CID 115207226) is N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline is COc1cc(C)c(C)cc1NCC1CNC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline?
The InChIKey is OFQOTHBOPHJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-12(13(16-3)5-10(9)2)15-8-11-6-14-7-11/h4-5,11,14-15H,6-8H2,1-3H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline?
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline has a molecular weight of 220.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline is sourced from PubChem (CID 115207226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).