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

C10H13NO3 — CID 79001840

IUPAC3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
SMILESNCC1COC(c2cccc(O)c2)O1
InChIInChI=1S/C10H13NO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6,11H2
InChIKeyNUVITRLLZXSJPC-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.76
Rot. Bonds2

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

3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol (PubChem CID 79001840) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
PubChem CID79001840
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol
SMILESNCC1COC(c2cccc(O)c2)O1
InChIInChI=1S/C10H13NO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6,11H2
InChIKeyNUVITRLLZXSJPC-UHFFFAOYSA-N
XLogP0.76
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol (CID 79001840) is 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol is NCC1COC(c2cccc(O)c2)O1.
What is the InChIKey of 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol?
The InChIKey is NUVITRLLZXSJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6,11H2.
What are the key properties of 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol?
3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol has a molecular weight of 195.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 79001840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).