2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline

C10H14FNOS — CID 79141008

IUPAC2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline
SMILESCOCC(C)Sc1ccc(N)c(F)c1
InChIInChI=1S/C10H14FNOS/c1-7(6-13-2)14-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyXDPWLBPPOGRKJA-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.53
Rot. Bonds4

About 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline

2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline (PubChem CID 79141008) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline
PubChem CID79141008
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline
SMILESCOCC(C)Sc1ccc(N)c(F)c1
InChIInChI=1S/C10H14FNOS/c1-7(6-13-2)14-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyXDPWLBPPOGRKJA-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2-methylpropylsulfanyl)aniline
CID 79140638
4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
2-(4-amino-3-fluorophenyl)sulfanyl-N-methylpropanamide
CID 79141392
2-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79141488
methyl 3-(4-amino-3-fluorophenyl)sulfanylpropanoate
CID 79141965
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79140731
2-fluoro-4-(methyldisulfanyl)aniline
CID 18377625
2-fluoro-4-[2-(4-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79141658
4-(3,3-dimethylbutylsulfanyl)-2-fluoroaniline
CID 79140918
methyl 3-(4-amino-3-fluorophenyl)sulfanyl-2-bromopropanoate
CID 81091420
4-[(2S)-butan-2-yl]sulfanyl-2-methylaniline
CID 51684097
2-fluoro-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]aniline
CID 82948357

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline?
The IUPAC name of 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline (CID 79141008) is 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline.
What is the SMILES notation for 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline?
The canonical SMILES for 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline is COCC(C)Sc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline?
The InChIKey is XDPWLBPPOGRKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7(6-13-2)14-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline?
2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline has a molecular weight of 215.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline is sourced from PubChem (CID 79141008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).