2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol

C24H24F2N2O — CID 136607303

IUPAC2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2F)cc(NCC2CCCCC2)n1
InChIInChI=1S/C24H24F2N2O/c25-19-10-6-11-20(26)24(19)17-13-21(18-9-4-5-12-22(18)29)28-23(14-17)27-15-16-7-2-1-3-8-16/h4-6,9-14,16,29H,1-3,7-8,15H2,(H,27,28)
InChIKeyWWAWTBOKRAHAHB-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.39
Rot. Bonds5

About 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol

2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol (PubChem CID 136607303) has the molecular formula C24H24F2N2O and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol
PubChem CID136607303
Molecular FormulaC24H24F2N2O
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2c(F)cccc2F)cc(NCC2CCCCC2)n1
InChIInChI=1S/C24H24F2N2O/c25-19-10-6-11-20(26)24(19)17-13-21(18-9-4-5-12-22(18)29)28-23(14-17)27-15-16-7-2-1-3-8-16/h4-6,9-14,16,29H,1-3,7-8,15H2,(H,27,28)
InChIKeyWWAWTBOKRAHAHB-UHFFFAOYSA-N
XLogP6.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol (CID 136607303) is 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2c(F)cccc2F)cc(NCC2CCCCC2)n1.
What is the InChIKey of 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol?
The InChIKey is WWAWTBOKRAHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O/c25-19-10-6-11-20(26)24(19)17-13-21(18-9-4-5-12-22(18)29)28-23(14-17)27-15-16-7-2-1-3-8-16/h4-6,9-14,16,29H,1-3,7-8,15H2,(H,27,28).
What are the key properties of 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol?
2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol has a molecular weight of 394.47 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclohexylmethylamino)-4-(2,6-difluorophenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136607303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).