[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine

C11H15FN2O2 — CID 142609906

IUPAC[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1OC(c2cccc(F)c2)OC1CN
InChIInChI=1S/C11H15FN2O2/c12-8-3-1-2-7(4-8)11-15-9(5-13)10(6-14)16-11/h1-4,9-11H,5-6,13-14H2
InChIKeyRRIDLANJPRWSND-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.53
Rot. Bonds3

About [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine

[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine (PubChem CID 142609906) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
PubChem CID142609906
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine
SMILESNCC1OC(c2cccc(F)c2)OC1CN
InChIInChI=1S/C11H15FN2O2/c12-8-3-1-2-7(4-8)11-15-9(5-13)10(6-14)16-11/h1-4,9-11H,5-6,13-14H2
InChIKeyRRIDLANJPRWSND-UHFFFAOYSA-N
XLogP0.53
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine (CID 142609906) is [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine is NCC1OC(c2cccc(F)c2)OC1CN.
What is the InChIKey of [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine?
The InChIKey is RRIDLANJPRWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-8-3-1-2-7(4-8)11-15-9(5-13)10(6-14)16-11/h1-4,9-11H,5-6,13-14H2.
What are the key properties of [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine?
[5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine has a molecular weight of 226.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-(3-fluorophenyl)-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 142609906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).