N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine

C14H14N2O2 — CID 21071445

IUPACN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
SMILESc1cncc(Nc2cccc(C3OCCO3)c2)c1
InChIInChI=1S/C14H14N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-6,9-10,14,16H,7-8H2
InChIKeyMDXXXBXWYSYQEA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.87
Rot. Bonds3

About N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine

N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine (PubChem CID 21071445) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
PubChem CID21071445
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
SMILESc1cncc(Nc2cccc(C3OCCO3)c2)c1
InChIInChI=1S/C14H14N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-6,9-10,14,16H,7-8H2
InChIKeyMDXXXBXWYSYQEA-UHFFFAOYSA-N
XLogP2.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine?
The IUPAC name of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine (CID 21071445) is N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine?
The canonical SMILES for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine is c1cncc(Nc2cccc(C3OCCO3)c2)c1.
What is the InChIKey of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine?
The InChIKey is MDXXXBXWYSYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-11(14-17-7-8-18-14)9-12(4-1)16-13-5-2-6-15-10-13/h1-6,9-10,14,16H,7-8H2.
What are the key properties of N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine?
N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine has a molecular weight of 242.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine is sourced from PubChem (CID 21071445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).