N-phenylmethoxypyridin-3-amine;dihydrochloride

C12H14Cl2N2O — CID 141050339

IUPACN-phenylmethoxypyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CONc2cccnc2)cc1
InChIInChI=1S/C12H12N2O.2ClH/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12;;/h1-9,14H,10H2;2*1H
InChIKeyNVYYXJQPCOCATB-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.47
Rot. Bonds4

About N-phenylmethoxypyridin-3-amine;dihydrochloride

N-phenylmethoxypyridin-3-amine;dihydrochloride (PubChem CID 141050339) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-phenylmethoxypyridin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-phenylmethoxypyridin-3-amine;dihydrochloride
PubChem CID141050339
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-phenylmethoxypyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CONc2cccnc2)cc1
InChIInChI=1S/C12H12N2O.2ClH/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12;;/h1-9,14H,10H2;2*1H
InChIKeyNVYYXJQPCOCATB-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxypyridin-3-amine;dihydrochloride?
The IUPAC name of N-phenylmethoxypyridin-3-amine;dihydrochloride (CID 141050339) is N-phenylmethoxypyridin-3-amine;dihydrochloride.
What is the SMILES notation for N-phenylmethoxypyridin-3-amine;dihydrochloride?
The canonical SMILES for N-phenylmethoxypyridin-3-amine;dihydrochloride is Cl.Cl.c1ccc(CONc2cccnc2)cc1.
What is the InChIKey of N-phenylmethoxypyridin-3-amine;dihydrochloride?
The InChIKey is NVYYXJQPCOCATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.2ClH/c1-2-5-11(6-3-1)10-15-14-12-7-4-8-13-9-12;;/h1-9,14H,10H2;2*1H.
What are the key properties of N-phenylmethoxypyridin-3-amine;dihydrochloride?
N-phenylmethoxypyridin-3-amine;dihydrochloride has a molecular weight of 273.16 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxypyridin-3-amine;dihydrochloride is sourced from PubChem (CID 141050339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).