[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol

C13H16N2O2 — CID 64592557

IUPAC[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCc2cccnc2)o1
InChIInChI=1S/C13H16N2O2/c16-10-13-4-3-12(17-13)9-15-7-5-11-2-1-6-14-8-11/h1-4,6,8,15-16H,5,7,9-10H2
InChIKeyUCYKBPAFGWUGJV-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.50
Rot. Bonds6

About [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol

[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol (PubChem CID 64592557) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
PubChem CID64592557
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCc2cccnc2)o1
InChIInChI=1S/C13H16N2O2/c16-10-13-4-3-12(17-13)9-15-7-5-11-2-1-6-14-8-11/h1-4,6,8,15-16H,5,7,9-10H2
InChIKeyUCYKBPAFGWUGJV-UHFFFAOYSA-N
XLogP1.50
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585947
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
4-[(2-pyridin-3-ylethylamino)methyl]aniline
CID 115212558
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-3-ylethanamine
CID 54883723
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
N-carbamoyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60913081

Frequently Asked Questions

What is the IUPAC name of [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol (CID 64592557) is [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCCc2cccnc2)o1.
What is the InChIKey of [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol?
The InChIKey is UCYKBPAFGWUGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-10-13-4-3-12(17-13)9-15-7-5-11-2-1-6-14-8-11/h1-4,6,8,15-16H,5,7,9-10H2.
What are the key properties of [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol?
[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol has a molecular weight of 232.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64592557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).