N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine

C12H14N2O — CID 60894639

IUPACN-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c1-3-11(9-13-6-1)5-7-14-10-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2
InChIKeyZUVVOUQVIWTMDO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine

N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine (PubChem CID 60894639) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
PubChem CID60894639
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccco2)c1
InChIInChI=1S/C12H14N2O/c1-3-11(9-13-6-1)5-7-14-10-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2
InChIKeyZUVVOUQVIWTMDO-UHFFFAOYSA-N
XLogP2.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
CID 64592557
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
3-(furan-2-ylmethylamino)-4-(pyridin-3-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369783
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585947
N-[2-(furan-2-yl)ethyl]-2-pyridin-4-ylethanamine
CID 60719415
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
CID 54883723
N-(furan-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55021280
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine (CID 60894639) is N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine is c1cncc(CCNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine?
The InChIKey is ZUVVOUQVIWTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-11(9-13-6-1)5-7-14-10-12-4-2-8-15-12/h1-4,6,8-9,14H,5,7,10H2.
What are the key properties of N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine?
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 60894639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).