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

C22H21FN2O2 — CID 10155672

IUPAC(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol
SMILESOC1C[C@H](CNCc2cncc(-c3ccc(F)cc3)c2)Oc2ccccc21
InChIInChI=1S/C22H21FN2O2/c23-18-7-5-16(6-8-18)17-9-15(11-24-13-17)12-25-14-19-10-21(26)20-3-1-2-4-22(20)27-19/h1-9,11,13,19,21,25-26H,10,12,14H2/t19-,21?/m1/s1
InChIKeyAEWGSHCHDSLEPV-YMBRHYMPSA-N
MW364.42 g/mol
LogP3.86
Rot. Bonds5

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

(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 10155672) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol
PubChem CID10155672
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol
SMILESOC1C[C@H](CNCc2cncc(-c3ccc(F)cc3)c2)Oc2ccccc21
InChIInChI=1S/C22H21FN2O2/c23-18-7-5-16(6-8-18)17-9-15(11-24-13-17)12-25-14-19-10-21(26)20-3-1-2-4-22(20)27-19/h1-9,11,13,19,21,25-26H,10,12,14H2/t19-,21?/m1/s1
InChIKeyAEWGSHCHDSLEPV-YMBRHYMPSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol (CID 10155672) is (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol is OC1C[C@H](CNCc2cncc(-c3ccc(F)cc3)c2)Oc2ccccc21.
What is the InChIKey of (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is AEWGSHCHDSLEPV-YMBRHYMPSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-7-5-16(6-8-18)17-9-15(11-24-13-17)12-25-14-19-10-21(26)20-3-1-2-4-22(20)27-19/h1-9,11,13,19,21,25-26H,10,12,14H2/t19-,21?/m1/s1.
What are the key properties of (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol?
(2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 364.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 10155672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).