2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol

C13H19NO3 — CID 117347005

IUPAC2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
SMILESCC1(C)OCC(c2ccccc2C(N)CO)O1
InChIInChI=1S/C13H19NO3/c1-13(2)16-8-12(17-13)10-6-4-3-5-9(10)11(14)7-15/h3-6,11-12,15H,7-8,14H2,1-2H3
InChIKeyAITXGHVVHRWZAS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol

2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol (PubChem CID 117347005) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
PubChem CID117347005
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol
SMILESCC1(C)OCC(c2ccccc2C(N)CO)O1
InChIInChI=1S/C13H19NO3/c1-13(2)16-8-12(17-13)10-6-4-3-5-9(10)11(14)7-15/h3-6,11-12,15H,7-8,14H2,1-2H3
InChIKeyAITXGHVVHRWZAS-UHFFFAOYSA-N
XLogP1.50
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol (CID 117347005) is 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol is CC1(C)OCC(c2ccccc2C(N)CO)O1.
What is the InChIKey of 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol?
The InChIKey is AITXGHVVHRWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2)16-8-12(17-13)10-6-4-3-5-9(10)11(14)7-15/h3-6,11-12,15H,7-8,14H2,1-2H3.
What are the key properties of 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol?
2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol has a molecular weight of 237.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethanol is sourced from PubChem (CID 117347005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).