5-fluoro-2-(3-methoxypropylsulfanyl)aniline

C10H14FNOS — CID 60926666

IUPAC5-fluoro-2-(3-methoxypropylsulfanyl)aniline
SMILESCOCCCSc1ccc(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyIDQZZRAPCBEZCM-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.54
Rot. Bonds5

About 5-fluoro-2-(3-methoxypropylsulfanyl)aniline

5-fluoro-2-(3-methoxypropylsulfanyl)aniline (PubChem CID 60926666) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-methoxypropylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-methoxypropylsulfanyl)aniline
PubChem CID60926666
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name5-fluoro-2-(3-methoxypropylsulfanyl)aniline
SMILESCOCCCSc1ccc(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3
InChIKeyIDQZZRAPCBEZCM-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(methoxymethylsulfanyl)aniline
CID 65364453
5-fluoro-2-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]aniline
CID 54962136
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
2-(3-methoxypropylsulfanyl)-4-methylaniline
CID 79142732
2-(3-ethylsulfonylpropylsulfanyl)-5-fluoroaniline
CID 65093509
2-[2-(2-aminoethoxy)ethylsulfanyl]-5-fluoroaniline
CID 103482663
5-fluoro-2-(2-phenylsulfanylethylsulfanyl)aniline
CID 79222282
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
5-fluoro-2-(2-phenoxyethylsulfanyl)aniline
CID 43304229
2-(2-amino-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 43304176
5-fluoro-2-(4-methoxybutoxy)aniline
CID 104646776
4-chloro-2-(3-methoxypropylsulfanyl)aniline
CID 79527904

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methoxypropylsulfanyl)aniline?
The IUPAC name of 5-fluoro-2-(3-methoxypropylsulfanyl)aniline (CID 60926666) is 5-fluoro-2-(3-methoxypropylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-2-(3-methoxypropylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-2-(3-methoxypropylsulfanyl)aniline is COCCCSc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(3-methoxypropylsulfanyl)aniline?
The InChIKey is IDQZZRAPCBEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-13-5-2-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 5-fluoro-2-(3-methoxypropylsulfanyl)aniline?
5-fluoro-2-(3-methoxypropylsulfanyl)aniline has a molecular weight of 215.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methoxypropylsulfanyl)aniline is sourced from PubChem (CID 60926666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).