6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine

C17H19ClN2O — CID 2800170

IUPAC6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1
InChIInChI=1S/C17H19ClN2O/c18-13-6-8-16(21-17-9-7-14(19)11-20-17)15(10-13)12-4-2-1-3-5-12/h6-12H,1-5,19H2
InChIKeySCGUDKCEFAZIKN-UHFFFAOYSA-N
MW302.81 g/mol
LogP5.16
Rot. Bonds3

About 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine

6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine (PubChem CID 2800170) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine
PubChem CID2800170
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine
SMILESNc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1
InChIInChI=1S/C17H19ClN2O/c18-13-6-8-16(21-17-9-7-14(19)11-20-17)15(10-13)12-4-2-1-3-5-12/h6-12H,1-5,19H2
InChIKeySCGUDKCEFAZIKN-UHFFFAOYSA-N
XLogP5.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.81
LogP ≤ 55.16
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-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine?
The IUPAC name of 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine (CID 2800170) is 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine is Nc1ccc(Oc2ccc(Cl)cc2C2CCCCC2)nc1.
What is the InChIKey of 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine?
The InChIKey is SCGUDKCEFAZIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-13-6-8-16(21-17-9-7-14(19)11-20-17)15(10-13)12-4-2-1-3-5-12/h6-12H,1-5,19H2.
What are the key properties of 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine?
6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine has a molecular weight of 302.81 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine is sourced from PubChem (CID 2800170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).