azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine

C12H18N2O2 — CID 116935281

IUPACazetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2CNC2)cc1OC
InChIInChI=1S/C12H18N2O2/c1-15-10-4-3-8(5-11(10)16-2)12(13)9-6-14-7-9/h3-5,9,12,14H,6-7,13H2,1-2H3
InChIKeyIZAPLTOZWUDTNC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine

azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine (PubChem CID 116935281) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
PubChem CID116935281
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameazetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2CNC2)cc1OC
InChIInChI=1S/C12H18N2O2/c1-15-10-4-3-8(5-11(10)16-2)12(13)9-6-14-7-9/h3-5,9,12,14H,6-7,13H2,1-2H3
InChIKeyIZAPLTOZWUDTNC-UHFFFAOYSA-N
XLogP0.92
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
(3,4-dimethoxyphenyl)-(oxolan-3-yl)methanamine
CID 61271784
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
(3,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 64739837
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 116935348
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 116935294
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine (CID 116935281) is azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)C2CNC2)cc1OC.
What is the InChIKey of azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is IZAPLTOZWUDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-15-10-4-3-8(5-11(10)16-2)12(13)9-6-14-7-9/h3-5,9,12,14H,6-7,13H2,1-2H3.
What are the key properties of azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine?
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 116935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).