2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol

C12H18N2O — CID 83833468

IUPAC2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
SMILESCN1CC(c2cccc(C(O)CN)c2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(8-14)9-3-2-4-10(5-9)12(15)6-13/h2-5,11-12,15H,6-8,13H2,1H3
InChIKeyWHQOBOLDLMXRRO-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol

2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol (PubChem CID 83833468) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
PubChem CID83833468
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
SMILESCN1CC(c2cccc(C(O)CN)c2)C1
InChIInChI=1S/C12H18N2O/c1-14-7-11(8-14)9-3-2-4-10(5-9)12(15)6-13/h2-5,11-12,15H,6-8,13H2,1H3
InChIKeyWHQOBOLDLMXRRO-UHFFFAOYSA-N
XLogP0.71
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol (CID 83833468) is 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol is CN1CC(c2cccc(C(O)CN)c2)C1.
What is the InChIKey of 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol?
The InChIKey is WHQOBOLDLMXRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-11(8-14)9-3-2-4-10(5-9)12(15)6-13/h2-5,11-12,15H,6-8,13H2,1H3.
What are the key properties of 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol?
2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol is sourced from PubChem (CID 83833468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).