4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol

C13H20N2O — CID 115496116

IUPAC4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)C1CNC1
InChIInChI=1S/C13H20N2O/c1-10(15(2)12-8-14-9-12)7-11-3-5-13(16)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyPVFMGRYCHYYBSF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.23
Rot. Bonds4

About 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol

4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol (PubChem CID 115496116) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
PubChem CID115496116
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)C1CNC1
InChIInChI=1S/C13H20N2O/c1-10(15(2)12-8-14-9-12)7-11-3-5-13(16)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3
InChIKeyPVFMGRYCHYYBSF-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-ethylcyclohexyl)-methylamino]propyl]phenol
CID 82986499
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
4-[2-[methyl-(2-methylcyclohexyl)amino]propyl]phenol
CID 82985701
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
4-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]propyl]phenol
CID 115496134
4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
CID 105447136
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
N-(azetidin-3-yl)-N-ethyl-2-(4-hydroxyphenyl)acetamide
CID 66181882
N-methyl-N-(4-methylpentan-2-yl)azetidin-3-amine
CID 62784615
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859

Frequently Asked Questions

What is the IUPAC name of 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol (CID 115496116) is 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)N(C)C1CNC1.
What is the InChIKey of 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol?
The InChIKey is PVFMGRYCHYYBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(15(2)12-8-14-9-12)7-11-3-5-13(16)6-4-11/h3-6,10,12,14,16H,7-9H2,1-2H3.
What are the key properties of 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol?
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol is sourced from PubChem (CID 115496116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).