2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol

C13H20N2O2 — CID 66182943

IUPAC2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)C1CNC1
InChIInChI=1S/C13H20N2O2/c1-3-15(11-7-14-8-11)9-10-6-12(17-2)4-5-13(10)16/h4-6,11,14,16H,3,7-9H2,1-2H3
InChIKeyQXGFBRVXYXETAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol

2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol (PubChem CID 66182943) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
PubChem CID66182943
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol
SMILESCCN(Cc1cc(OC)ccc1O)C1CNC1
InChIInChI=1S/C13H20N2O2/c1-3-15(11-7-14-8-11)9-10-6-12(17-2)4-5-13(10)16/h4-6,11,14,16H,3,7-9H2,1-2H3
InChIKeyQXGFBRVXYXETAY-UHFFFAOYSA-N
XLogP1.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.19
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-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
4-[[azetidin-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 66184417
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[azetidin-3-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133809
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 66184450
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818

Frequently Asked Questions

What is the IUPAC name of 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol (CID 66182943) is 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol is CCN(Cc1cc(OC)ccc1O)C1CNC1.
What is the InChIKey of 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol?
The InChIKey is QXGFBRVXYXETAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(11-7-14-8-11)9-10-6-12(17-2)4-5-13(10)16/h4-6,11,14,16H,3,7-9H2,1-2H3.
What are the key properties of 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol?
2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol has a molecular weight of 236.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[azetidin-3-yl(ethyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 66182943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).