2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol

C12H18N2O2 — CID 65244962

IUPAC2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CC(N)C2)c1O
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)6-14-7-10(13)8-14/h3-5,10,15H,2,6-8,13H2,1H3
InChIKeyBXWYABUZNCFWHQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.93
Rot. Bonds4

About 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol

2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol (PubChem CID 65244962) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
PubChem CID65244962
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CN2CC(N)C2)c1O
InChIInChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)6-14-7-10(13)8-14/h3-5,10,15H,2,6-8,13H2,1H3
InChIKeyBXWYABUZNCFWHQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.72 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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
2-[(3-amino-5-methylpiperidin-1-yl)methyl]-6-methoxyphenol
CID 79986823
2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-6-ethoxyphenol
CID 103887046
2-ethoxy-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82966226
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
2-ethoxy-6-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]phenol
CID 82958395
(4-chlorophenyl)-[(3S)-1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]methanone
CID 25455195
2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 45241251
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
2-[[(3R)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-ethoxyphenol
CID 51907434

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol?
The IUPAC name of 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol (CID 65244962) is 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol is CCOc1cccc(CN2CC(N)C2)c1O.
What is the InChIKey of 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol?
The InChIKey is BXWYABUZNCFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-11-5-3-4-9(12(11)15)6-14-7-10(13)8-14/h3-5,10,15H,2,6-8,13H2,1H3.
What are the key properties of 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol?
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol has a molecular weight of 222.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol is sourced from PubChem (CID 65244962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).