6-(4-benzylphenoxy)pyridin-3-amine

C18H16N2O — CID 62274041

IUPAC6-(4-benzylphenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cc3ccccc3)cc2)nc1
InChIInChI=1S/C18H16N2O/c19-16-8-11-18(20-13-16)21-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12,19H2
InChIKeyXBAOCQSHWPHESP-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.05
Rot. Bonds4

About 6-(4-benzylphenoxy)pyridin-3-amine

6-(4-benzylphenoxy)pyridin-3-amine (PubChem CID 62274041) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(4-benzylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-benzylphenoxy)pyridin-3-amine
PubChem CID62274041
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name6-(4-benzylphenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cc3ccccc3)cc2)nc1
InChIInChI=1S/C18H16N2O/c19-16-8-11-18(20-13-16)21-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12,19H2
InChIKeyXBAOCQSHWPHESP-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(5-amino-2-pyridinyl)oxy]phenoxy]pyridin-3-amine
CID 102449756
6-(4-methylphenoxy)pyridin-3-amine
CID 4763818
6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
CID 155192033
5-(4-benzylphenoxy)pyridin-3-amine
CID 104536724
6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
CID 139794421
1-[4-[(5-amino-2-pyridinyl)oxy]phenyl]ethanone
CID 18673928
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
6-(3,4-dimethylphenoxy)pyridin-3-amine
CID 16787193
6-(3,5-dimethoxyphenoxy)pyridin-3-amine
CID 43589800
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
6-(3-fluorophenoxy)pyridin-3-amine
CID 16789868
(4-benzylphenoxy)methanamine
CID 67208849

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(4-benzylphenoxy)pyridin-3-amine (CID 62274041) is 6-(4-benzylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-benzylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-benzylphenoxy)pyridin-3-amine is Nc1ccc(Oc2ccc(Cc3ccccc3)cc2)nc1.
What is the InChIKey of 6-(4-benzylphenoxy)pyridin-3-amine?
The InChIKey is XBAOCQSHWPHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-8-11-18(20-13-16)21-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12,19H2.
What are the key properties of 6-(4-benzylphenoxy)pyridin-3-amine?
6-(4-benzylphenoxy)pyridin-3-amine has a molecular weight of 276.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylphenoxy)pyridin-3-amine is sourced from PubChem (CID 62274041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).