3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol

C12H17NO3 — CID 82024443

IUPAC3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol
SMILESCC1(CCN)OCC(c2cccc(O)c2)O1
InChIInChI=1S/C12H17NO3/c1-12(5-6-13)15-8-11(16-12)9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3
InChIKeyAASGPKHIWZSAGQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.55
Rot. Bonds3

About 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol

3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol (PubChem CID 82024443) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol
PubChem CID82024443
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol
SMILESCC1(CCN)OCC(c2cccc(O)c2)O1
InChIInChI=1S/C12H17NO3/c1-12(5-6-13)15-8-11(16-12)9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3
InChIKeyAASGPKHIWZSAGQ-UHFFFAOYSA-N
XLogP1.55
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol?
The IUPAC name of 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol (CID 82024443) is 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol.
What is the SMILES notation for 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol?
The canonical SMILES for 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol is CC1(CCN)OCC(c2cccc(O)c2)O1.
What is the InChIKey of 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol?
The InChIKey is AASGPKHIWZSAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(5-6-13)15-8-11(16-12)9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3.
What are the key properties of 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol?
3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol has a molecular weight of 223.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-2-methyl-1,3-dioxolan-4-yl]phenol is sourced from PubChem (CID 82024443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).