azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine

C13H20N2O2 — CID 116935348

IUPACazetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2CNC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-8-4-11(16-2)12(17-3)5-10(8)13(14)9-6-15-7-9/h4-5,9,13,15H,6-7,14H2,1-3H3
InChIKeyFKDGKVRKEZIMGL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.23
Rot. Bonds4

About azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine

azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine (PubChem CID 116935348) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Nameazetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
PubChem CID116935348
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameazetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)C2CNC2)cc1OC
InChIInChI=1S/C13H20N2O2/c1-8-4-11(16-2)12(17-3)5-10(8)13(14)9-6-15-7-9/h4-5,9,13,15H,6-7,14H2,1-3H3
InChIKeyFKDGKVRKEZIMGL-UHFFFAOYSA-N
XLogP1.23
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
azetidin-3-yl-(3,4-dimethoxyphenyl)methanamine
CID 116935281
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
azetidin-3-yl-(5-tert-butyl-2-methoxyphenyl)methanamine
CID 116935294
azetidin-3-yl-(2-methoxy-4-propan-2-ylphenyl)methanamine
CID 116935336
azetidin-3-yl-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935353
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclopropylmethanamine
CID 82296043
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299
1-(azetidin-3-yl)-1-(2,5-dimethoxy-4-methylphenyl)-N,N-dimethylmethanamine
CID 116906242
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
(4,5-dimethoxy-2-methylphenyl)-(1,1-dioxothian-2-yl)methanamine
CID 104518749
(5-tert-butyl-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82302431

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine?
The IUPAC name of azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine (CID 116935348) is azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine.
What is the SMILES notation for azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine?
The canonical SMILES for azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine is COc1cc(C)c(C(N)C2CNC2)cc1OC.
What is the InChIKey of azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine?
The InChIKey is FKDGKVRKEZIMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-4-11(16-2)12(17-3)5-10(8)13(14)9-6-15-7-9/h4-5,9,13,15H,6-7,14H2,1-3H3.
What are the key properties of azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine?
azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4,5-dimethoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 116935348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).