N-benzyl-3-(methoxymethoxy)pyridin-4-amine

C14H16N2O2 — CID 91007168

IUPACN-benzyl-3-(methoxymethoxy)pyridin-4-amine
SMILESCOCOc1cnccc1NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-17-11-18-14-10-15-8-7-13(14)16-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,15,16)
InChIKeyHHBKBARAUDFBNN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.68
Rot. Bonds6

About N-benzyl-3-(methoxymethoxy)pyridin-4-amine

N-benzyl-3-(methoxymethoxy)pyridin-4-amine (PubChem CID 91007168) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-benzyl-3-(methoxymethoxy)pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-3-(methoxymethoxy)pyridin-4-amine
PubChem CID91007168
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-benzyl-3-(methoxymethoxy)pyridin-4-amine
SMILESCOCOc1cnccc1NCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-17-11-18-14-10-15-8-7-13(14)16-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,15,16)
InChIKeyHHBKBARAUDFBNN-UHFFFAOYSA-N
XLogP2.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(methoxymethoxy)pyridin-4-amine?
The IUPAC name of N-benzyl-3-(methoxymethoxy)pyridin-4-amine (CID 91007168) is N-benzyl-3-(methoxymethoxy)pyridin-4-amine.
What is the SMILES notation for N-benzyl-3-(methoxymethoxy)pyridin-4-amine?
The canonical SMILES for N-benzyl-3-(methoxymethoxy)pyridin-4-amine is COCOc1cnccc1NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(methoxymethoxy)pyridin-4-amine?
The InChIKey is HHBKBARAUDFBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-11-18-14-10-15-8-7-13(14)16-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,15,16).
What are the key properties of N-benzyl-3-(methoxymethoxy)pyridin-4-amine?
N-benzyl-3-(methoxymethoxy)pyridin-4-amine has a molecular weight of 244.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(methoxymethoxy)pyridin-4-amine is sourced from PubChem (CID 91007168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).