4-[azetidin-3-ylmethyl(methyl)amino]phenol

C11H16N2O — CID 84664189

IUPAC4-[azetidin-3-ylmethyl(methyl)amino]phenol
SMILESCN(CC1CNC1)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O/c1-13(8-9-6-12-7-9)10-2-4-11(14)5-3-10/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYQJAKCIILGWKAD-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.05
Rot. Bonds3

About 4-[azetidin-3-ylmethyl(methyl)amino]phenol

4-[azetidin-3-ylmethyl(methyl)amino]phenol (PubChem CID 84664189) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[azetidin-3-ylmethyl(methyl)amino]phenol.

Molecular Properties

Compound Name4-[azetidin-3-ylmethyl(methyl)amino]phenol
PubChem CID84664189
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[azetidin-3-ylmethyl(methyl)amino]phenol
SMILESCN(CC1CNC1)c1ccc(O)cc1
InChIInChI=1S/C11H16N2O/c1-13(8-9-6-12-7-9)10-2-4-11(14)5-3-10/h2-5,9,12,14H,6-8H2,1H3
InChIKeyYQJAKCIILGWKAD-UHFFFAOYSA-N
XLogP1.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[azetidin-3-ylmethyl(methyl)amino]phenol?
The IUPAC name of 4-[azetidin-3-ylmethyl(methyl)amino]phenol (CID 84664189) is 4-[azetidin-3-ylmethyl(methyl)amino]phenol.
What is the SMILES notation for 4-[azetidin-3-ylmethyl(methyl)amino]phenol?
The canonical SMILES for 4-[azetidin-3-ylmethyl(methyl)amino]phenol is CN(CC1CNC1)c1ccc(O)cc1.
What is the InChIKey of 4-[azetidin-3-ylmethyl(methyl)amino]phenol?
The InChIKey is YQJAKCIILGWKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13(8-9-6-12-7-9)10-2-4-11(14)5-3-10/h2-5,9,12,14H,6-8H2,1H3.
What are the key properties of 4-[azetidin-3-ylmethyl(methyl)amino]phenol?
4-[azetidin-3-ylmethyl(methyl)amino]phenol has a molecular weight of 192.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azetidin-3-ylmethyl(methyl)amino]phenol is sourced from PubChem (CID 84664189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).