(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine

C23H22FN3O — CID 59339631

IUPAC(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1O[C@H](c1ccccc1)[C@H](C)N
InChIInChI=1S/C23H22FN3O/c1-15-12-21-18(14-26-27(21)20-10-8-19(24)9-11-20)13-22(15)28-23(16(2)25)17-6-4-3-5-7-17/h3-14,16,23H,25H2,1-2H3/t16-,23-/m0/s1
InChIKeyZWMUWCCLUOLOBQ-HJPURHCSSA-N
MW375.45 g/mol
LogP4.94
Rot. Bonds5

About (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine

(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine (PubChem CID 59339631) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine
PubChem CID59339631
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1O[C@H](c1ccccc1)[C@H](C)N
InChIInChI=1S/C23H22FN3O/c1-15-12-21-18(14-26-27(21)20-10-8-19(24)9-11-20)13-22(15)28-23(16(2)25)17-6-4-3-5-7-17/h3-14,16,23H,25H2,1-2H3/t16-,23-/m0/s1
InChIKeyZWMUWCCLUOLOBQ-HJPURHCSSA-N
XLogP4.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine?
The IUPAC name of (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine (CID 59339631) is (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine.
What is the SMILES notation for (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine?
The canonical SMILES for (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1O[C@H](c1ccccc1)[C@H](C)N.
What is the InChIKey of (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine?
The InChIKey is ZWMUWCCLUOLOBQ-HJPURHCSSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-15-12-21-18(14-26-27(21)20-10-8-19(24)9-11-20)13-22(15)28-23(16(2)25)17-6-4-3-5-7-17/h3-14,16,23H,25H2,1-2H3/t16-,23-/m0/s1.
What are the key properties of (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine?
(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine has a molecular weight of 375.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine is sourced from PubChem (CID 59339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).