4-[(4-phenylphenoxy)methyl]pyridin-2-amine

C18H16N2O — CID 62466234

IUPAC4-[(4-phenylphenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C18H16N2O/c19-18-12-14(10-11-20-18)13-21-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12H,13H2,(H2,19,20)
InChIKeyCPYUTMMSSIIHHS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.91
Rot. Bonds4

About 4-[(4-phenylphenoxy)methyl]pyridin-2-amine

4-[(4-phenylphenoxy)methyl]pyridin-2-amine (PubChem CID 62466234) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(4-phenylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(4-phenylphenoxy)methyl]pyridin-2-amine
PubChem CID62466234
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-[(4-phenylphenoxy)methyl]pyridin-2-amine
SMILESNc1cc(COc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C18H16N2O/c19-18-12-14(10-11-20-18)13-21-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12H,13H2,(H2,19,20)
InChIKeyCPYUTMMSSIIHHS-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(4-phenylphenoxy)methyl]pyridin-2-amine (CID 62466234) is 4-[(4-phenylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(4-phenylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(4-phenylphenoxy)methyl]pyridin-2-amine is Nc1cc(COc2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of 4-[(4-phenylphenoxy)methyl]pyridin-2-amine?
The InChIKey is CPYUTMMSSIIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-18-12-14(10-11-20-18)13-21-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12H,13H2,(H2,19,20).
What are the key properties of 4-[(4-phenylphenoxy)methyl]pyridin-2-amine?
4-[(4-phenylphenoxy)methyl]pyridin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62466234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).