N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride

C11H13ClN2O — CID 2815908

IUPACN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCl.c1cncc(CNCc2ccco2)c1
InChIInChI=1S/C11H12N2O.ClH/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11;/h1-7,13H,8-9H2;1H
InChIKeyWBMYIRBDIWZNRC-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.39
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride

N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride (PubChem CID 2815908) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride
PubChem CID2815908
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride
SMILESCl.c1cncc(CNCc2ccco2)c1
InChIInChI=1S/C11H12N2O.ClH/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11;/h1-7,13H,8-9H2;1H
InChIKeyWBMYIRBDIWZNRC-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride (CID 2815908) is N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride is Cl.c1cncc(CNCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride?
The InChIKey is WBMYIRBDIWZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11;/h1-7,13H,8-9H2;1H.
What are the key properties of N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride?
N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-pyridin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 2815908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).