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

C18H21ClN2O — CID 155134588

IUPAC6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine
SMILESCc1cc(Oc2ccc(C3CCCCC3)cc2Cl)ncc1N
InChIInChI=1S/C18H21ClN2O/c1-12-9-18(21-11-16(12)20)22-17-8-7-14(10-15(17)19)13-5-3-2-4-6-13/h7-11,13H,2-6,20H2,1H3
InChIKeyIJQRJWHMPAZWLB-UHFFFAOYSA-N
MW316.83 g/mol
LogP5.47
Rot. Bonds3

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

6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine (PubChem CID 155134588) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine
PubChem CID155134588
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine
SMILESCc1cc(Oc2ccc(C3CCCCC3)cc2Cl)ncc1N
InChIInChI=1S/C18H21ClN2O/c1-12-9-18(21-11-16(12)20)22-17-8-7-14(10-15(17)19)13-5-3-2-4-6-13/h7-11,13H,2-6,20H2,1H3
InChIKeyIJQRJWHMPAZWLB-UHFFFAOYSA-N
XLogP5.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.83
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine (CID 155134588) is 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine is Cc1cc(Oc2ccc(C3CCCCC3)cc2Cl)ncc1N.
What is the InChIKey of 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine?
The InChIKey is IJQRJWHMPAZWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-9-18(21-11-16(12)20)22-17-8-7-14(10-15(17)19)13-5-3-2-4-6-13/h7-11,13H,2-6,20H2,1H3.
What are the key properties of 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine?
6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine has a molecular weight of 316.83 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-cyclohexylphenoxy)-4-methylpyridin-3-amine is sourced from PubChem (CID 155134588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).