N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine

C18H20FN3OS — CID 143677612

IUPACN-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
SMILESCCSNC(C)COc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3OS/c1-3-24-21-13(2)12-23-17-8-9-18-14(10-17)11-20-22(18)16-6-4-15(19)5-7-16/h4-11,13,21H,3,12H2,1-2H3
InChIKeyLFDJQHDNEYDZJK-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.19
Rot. Bonds7

About N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine

N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine (PubChem CID 143677612) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine.

Molecular Properties

Compound NameN-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
PubChem CID143677612
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine
SMILESCCSNC(C)COc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H20FN3OS/c1-3-24-21-13(2)12-23-17-8-9-18-14(10-17)11-20-22(18)16-6-4-15(19)5-7-16/h4-11,13,21H,3,12H2,1-2H3
InChIKeyLFDJQHDNEYDZJK-UHFFFAOYSA-N
XLogP4.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]ethanesulfonamide
CID 91439728
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]methanesulfonamide
CID 91585554
1-cyclopentyl-N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 24998357
2-[[(2S,3R)-3-[1-(4-fluorophenyl)indazol-5-yl]oxybutan-2-yl]amino]-2-oxoacetic acid
CID 159521542
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylbutan-2-amine
CID 59339729
1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 69053584
N-[(2S)-1-[4-(ethylsulfanylmethyl)phenyl]-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
CID 69008012
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-phenylpropan-2-yl]pyridine-3-sulfonamide
CID 90910282
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
2-fluoro-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 66812455
(1R,2S)-N-(butan-2-yl-hydroxy-methyl-oxo-λ6-sulfanyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-amine
CID 143677655
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]ethanesulfonamide
CID 74372625

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The IUPAC name of N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine (CID 143677612) is N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine.
What is the SMILES notation for N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The canonical SMILES for N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine is CCSNC(C)COc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
The InChIKey is LFDJQHDNEYDZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-3-24-21-13(2)12-23-17-8-9-18-14(10-17)11-20-22(18)16-6-4-15(19)5-7-16/h4-11,13,21H,3,12H2,1-2H3.
What are the key properties of N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine?
N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine has a molecular weight of 345.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfanyl-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-amine is sourced from PubChem (CID 143677612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).