[4-(1,3-dioxolan-2-yl)phenyl]methanamine

C10H13NO2 — CID 10559254

IUPAC[4-(1,3-dioxolan-2-yl)phenyl]methanamine
SMILESNCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H13NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7,11H2
InChIKeyNUKQIICQHKOVHB-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.19
Rot. Bonds2

About [4-(1,3-dioxolan-2-yl)phenyl]methanamine

[4-(1,3-dioxolan-2-yl)phenyl]methanamine (PubChem CID 10559254) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)phenyl]methanamine
PubChem CID10559254
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[4-(1,3-dioxolan-2-yl)phenyl]methanamine
SMILESNCc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H13NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7,11H2
InChIKeyNUKQIICQHKOVHB-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)phenyl]methanamine?
The IUPAC name of [4-(1,3-dioxolan-2-yl)phenyl]methanamine (CID 10559254) is [4-(1,3-dioxolan-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)phenyl]methanamine is NCc1ccc(C2OCCO2)cc1.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)phenyl]methanamine?
The InChIKey is NUKQIICQHKOVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7,11H2.
What are the key properties of [4-(1,3-dioxolan-2-yl)phenyl]methanamine?
[4-(1,3-dioxolan-2-yl)phenyl]methanamine has a molecular weight of 179.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 10559254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).