N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine

C13H16N2O — CID 60719415

IUPACN-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
SMILESc1coc(CCNCCc2ccncc2)c1
InChIInChI=1S/C13H16N2O/c1-2-13(16-11-1)6-10-15-9-5-12-3-7-14-8-4-12/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyKQDQNYIEASZNPF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine

N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine (PubChem CID 60719415) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
PubChem CID60719415
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
SMILESc1coc(CCNCCc2ccncc2)c1
InChIInChI=1S/C13H16N2O/c1-2-13(16-11-1)6-10-15-9-5-12-3-7-14-8-4-12/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyKQDQNYIEASZNPF-UHFFFAOYSA-N
XLogP2.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-[2-(furan-2-yl)ethyl]hexane-1,6-diamine
CID 61470977
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
CID 81429403
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
2-(furan-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60695276
2-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 82889367
2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662572

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine (CID 60719415) is N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine is c1coc(CCNCCc2ccncc2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine?
The InChIKey is KQDQNYIEASZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-13(16-11-1)6-10-15-9-5-12-3-7-14-8-4-12/h1-4,7-8,11,15H,5-6,9-10H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine?
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 60719415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).