(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine

C22H19ClFN3O — CID 59339806

IUPAC(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
SMILESC[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1Cl
InChIInChI=1S/C22H19ClFN3O/c1-14(25)22(19-4-2-3-5-20(19)23)28-18-10-11-21-15(12-18)13-26-27(21)17-8-6-16(24)7-9-17/h2-14,22H,25H2,1H3/t14-,22-/m0/s1
InChIKeyFWXCJQLHTQBFPQ-FPTDNZKUSA-N
MW395.87 g/mol
LogP5.29
Rot. Bonds5

About (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine

(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine (PubChem CID 59339806) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
PubChem CID59339806
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
SMILESC[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1Cl
InChIInChI=1S/C22H19ClFN3O/c1-14(25)22(19-4-2-3-5-20(19)23)28-18-10-11-21-15(12-18)13-26-27(21)17-8-6-16(24)7-9-17/h2-14,22H,25H2,1H3/t14-,22-/m0/s1
InChIKeyFWXCJQLHTQBFPQ-FPTDNZKUSA-N
XLogP5.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The IUPAC name of (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine (CID 59339806) is (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine.
What is the SMILES notation for (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The canonical SMILES for (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine is C[C@H](N)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1Cl.
What is the InChIKey of (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The InChIKey is FWXCJQLHTQBFPQ-FPTDNZKUSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c1-14(25)22(19-4-2-3-5-20(19)23)28-18-10-11-21-15(12-18)13-26-27(21)17-8-6-16(24)7-9-17/h2-14,22H,25H2,1H3/t14-,22-/m0/s1.
What are the key properties of (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
(1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine has a molecular weight of 395.87 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine is sourced from PubChem (CID 59339806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).