N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine

C12H14N2O2 — CID 115735525

IUPACN-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
SMILESCOCc1ccc(CNc2ccccn2)o1
InChIInChI=1S/C12H14N2O2/c1-15-9-11-6-5-10(16-11)8-14-12-4-2-3-7-13-12/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyGQNGBTLSIQSQCT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.43
Rot. Bonds5

About N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine

N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine (PubChem CID 115735525) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
PubChem CID115735525
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
SMILESCOCc1ccc(CNc2ccccn2)o1
InChIInChI=1S/C12H14N2O2/c1-15-9-11-6-5-10(16-11)8-14-12-4-2-3-7-13-12/h2-7H,8-9H2,1H3,(H,13,14)
InChIKeyGQNGBTLSIQSQCT-UHFFFAOYSA-N
XLogP2.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine (CID 115735525) is N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine is COCc1ccc(CNc2ccccn2)o1.
What is the InChIKey of N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine?
The InChIKey is GQNGBTLSIQSQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-9-11-6-5-10(16-11)8-14-12-4-2-3-7-13-12/h2-7H,8-9H2,1H3,(H,13,14).
What are the key properties of N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine?
N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 115735525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).