(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine

C23H22FN3O — CID 91046815

IUPAC(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)N)c1
InChIInChI=1S/C23H22FN3O/c1-15-4-3-5-17(12-15)23(16(2)25)28-21-10-11-22-18(13-21)14-26-27(22)20-8-6-19(24)7-9-20/h3-14,16,23H,25H2,1-2H3/t16-,23?/m0/s1
InChIKeyCOJZEVBGOUMNIW-GZWBLTSWSA-N
MW375.45 g/mol
LogP4.94
Rot. Bonds5

About (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine

(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine (PubChem CID 91046815) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine
PubChem CID91046815
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine
SMILESCc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)N)c1
InChIInChI=1S/C23H22FN3O/c1-15-4-3-5-17(12-15)23(16(2)25)28-21-10-11-22-18(13-21)14-26-27(22)20-8-6-19(24)7-9-20/h3-14,16,23H,25H2,1-2H3/t16-,23?/m0/s1
InChIKeyCOJZEVBGOUMNIW-GZWBLTSWSA-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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Related Compounds

(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine;2,2,2-trifluoroacetic acid
CID 66812709
1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 69053584
(2S)-1-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-4-methylpentan-2-amine
CID 66812773
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylbutan-2-amine
CID 59339729
(1R,2S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]oxy-1-phenylpropan-2-amine
CID 59339631
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 143701095
N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-5-methylthiophene-2-carboxamide
CID 66813032
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[(1R)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 71095199
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
2-fluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 25012191
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine?
The IUPAC name of (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine (CID 91046815) is (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine?
The canonical SMILES for (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine is Cc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)N)c1.
What is the InChIKey of (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine?
The InChIKey is COJZEVBGOUMNIW-GZWBLTSWSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-15-4-3-5-17(12-15)23(16(2)25)28-21-10-11-22-18(13-21)14-26-27(22)20-8-6-19(24)7-9-20/h3-14,16,23H,25H2,1-2H3/t16-,23?/m0/s1.
What are the key properties of (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine?
(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-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 (2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 91046815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).