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

C10H13NO2 — CID 58775880

IUPAC[3-(1,3-dioxolan-2-yl)phenyl]methanamine
SMILESNCc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H13NO2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6,10H,4-5,7,11H2
InChIKeyKSVPEHPFVBQFLA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.19
Rot. Bonds2

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

[3-(1,3-dioxolan-2-yl)phenyl]methanamine (PubChem CID 58775880) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)phenyl]methanamine
PubChem CID58775880
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name[3-(1,3-dioxolan-2-yl)phenyl]methanamine
SMILESNCc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H13NO2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6,10H,4-5,7,11H2
InChIKeyKSVPEHPFVBQFLA-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 [3-(1,3-dioxolan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(1,3-dioxolan-2-yl)phenyl]methanamine (CID 58775880) is [3-(1,3-dioxolan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)phenyl]methanamine is NCc1cccc(C2OCCO2)c1.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)phenyl]methanamine?
The InChIKey is KSVPEHPFVBQFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6,10H,4-5,7,11H2.
What are the key properties of [3-(1,3-dioxolan-2-yl)phenyl]methanamine?
[3-(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 [3-(1,3-dioxolan-2-yl)phenyl]methanamine is sourced from PubChem (CID 58775880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).