[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C20H27FN2O — CID 20647523

IUPAC[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCNCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O/c1-12(2)19-16(10-22-5)18(14-6-8-15(21)9-7-14)17(11-24)20(23-19)13(3)4/h6-9,12-13,22,24H,10-11H2,1-5H3
InChIKeyFQCMJMHXSHJBMN-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.35
Rot. Bonds6

About [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 20647523) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID20647523
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCNCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C20H27FN2O/c1-12(2)19-16(10-22-5)18(14-6-8-15(21)9-7-14)17(11-24)20(23-19)13(3)4/h6-9,12-13,22,24H,10-11H2,1-5H3
InChIKeyFQCMJMHXSHJBMN-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204
1-[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22005250

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 20647523) is [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CNCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is FQCMJMHXSHJBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-12(2)19-16(10-22-5)18(14-6-8-15(21)9-7-14)17(11-24)20(23-19)13(3)4/h6-9,12-13,22,24H,10-11H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 330.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(methylaminomethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 20647523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).