N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine

C12H14N2O2 — CID 45259124

IUPACN-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine
SMILESc1ccc(OCCNCc2ccco2)nc1
InChIInChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2
InChIKeyRMGIKRSEGHAEEZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine

N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine (PubChem CID 45259124) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine
PubChem CID45259124
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine
SMILESc1ccc(OCCNCc2ccco2)nc1
InChIInChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2
InChIKeyRMGIKRSEGHAEEZ-UHFFFAOYSA-N
XLogP1.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine (CID 45259124) is N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine is c1ccc(OCCNCc2ccco2)nc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine?
The InChIKey is RMGIKRSEGHAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-6-14-12(5-1)16-9-7-13-10-11-4-3-8-15-11/h1-6,8,13H,7,9-10H2.
What are the key properties of N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine?
N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 45259124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).