N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine

C13H16N2O2 — CID 45259126

IUPACN-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine
SMILESc1ccc(OCCCNCc2ccco2)nc1
InChIInChI=1S/C13H16N2O2/c1-2-8-15-13(6-1)17-10-4-7-14-11-12-5-3-9-16-12/h1-3,5-6,8-9,14H,4,7,10-11H2
InChIKeyPXVPNIQTUDAXQT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.23
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine

N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine (PubChem CID 45259126) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine
PubChem CID45259126
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine
SMILESc1ccc(OCCCNCc2ccco2)nc1
InChIInChI=1S/C13H16N2O2/c1-2-8-15-13(6-1)17-10-4-7-14-11-12-5-3-9-16-12/h1-3,5-6,8-9,14H,4,7,10-11H2
InChIKeyPXVPNIQTUDAXQT-UHFFFAOYSA-N
XLogP2.23
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine (CID 45259126) is N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine is c1ccc(OCCCNCc2ccco2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine?
The InChIKey is PXVPNIQTUDAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-8-15-13(6-1)17-10-4-7-14-11-12-5-3-9-16-12/h1-3,5-6,8-9,14H,4,7,10-11H2.
What are the key properties of N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine?
N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine has a molecular weight of 232.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-pyridin-2-yloxypropan-1-amine is sourced from PubChem (CID 45259126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).