6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine

C21H20N2O — CID 69018554

IUPAC6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)C3)nc1
InChIInChI=1S/C21H20N2O/c22-19-9-11-21(23-14-19)24-20-10-8-17-12-16(6-7-18(17)13-20)15-4-2-1-3-5-15/h1-5,8-11,13-14,16H,6-7,12,22H2
InChIKeyOGIDQJAVHMIRQC-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.73
Rot. Bonds3

About 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine

6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine (PubChem CID 69018554) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine
PubChem CID69018554
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine
SMILESNc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)C3)nc1
InChIInChI=1S/C21H20N2O/c22-19-9-11-21(23-14-19)24-20-10-8-17-12-16(6-7-18(17)13-20)15-4-2-1-3-5-15/h1-5,8-11,13-14,16H,6-7,12,22H2
InChIKeyOGIDQJAVHMIRQC-UHFFFAOYSA-N
XLogP4.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.73
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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Frequently Asked Questions

What is the IUPAC name of 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine (CID 69018554) is 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine is Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)C3)nc1.
What is the InChIKey of 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine?
The InChIKey is OGIDQJAVHMIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c22-19-9-11-21(23-14-19)24-20-10-8-17-12-16(6-7-18(17)13-20)15-4-2-1-3-5-15/h1-5,8-11,13-14,16H,6-7,12,22H2.
What are the key properties of 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine?
6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine has a molecular weight of 316.40 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 69018554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).