2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol

C22H21FN2O2 — CID 91460108

IUPAC2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(CNCc1ccc(-c3ccc(F)cc3)cn1)CC2
InChIInChI=1S/C22H21FN2O2/c23-18-6-1-15(2-7-18)17-3-8-19(25-12-17)13-24-14-21-10-5-16-4-9-20(26)11-22(16)27-21/h1-4,6-9,11-12,21,24,26H,5,10,13-14H2
InChIKeyRYHUIZYZGBBMLH-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.08
Rot. Bonds5

About 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol

2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 91460108) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
PubChem CID91460108
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)OC(CNCc1ccc(-c3ccc(F)cc3)cn1)CC2
InChIInChI=1S/C22H21FN2O2/c23-18-6-1-15(2-7-18)17-3-8-19(25-12-17)13-24-14-21-10-5-16-4-9-20(26)11-22(16)27-21/h1-4,6-9,11-12,21,24,26H,5,10,13-14H2
InChIKeyRYHUIZYZGBBMLH-UHFFFAOYSA-N
XLogP4.08
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol (CID 91460108) is 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1)OC(CNCc1ccc(-c3ccc(F)cc3)cn1)CC2.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RYHUIZYZGBBMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-6-1-15(2-7-18)17-3-8-19(25-12-17)13-24-14-21-10-5-16-4-9-20(26)11-22(16)27-21/h1-4,6-9,11-12,21,24,26H,5,10,13-14H2.
What are the key properties of 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol?
2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 364.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 91460108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).