2-fluoro-4-(2-methylpropylsulfanyl)aniline

C10H14FNS — CID 79140638

IUPAC2-fluoro-4-(2-methylpropylsulfanyl)aniline
SMILESCC(C)CSc1ccc(N)c(F)c1
InChIInChI=1S/C10H14FNS/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyLPWXINWYODNIJF-UHFFFAOYSA-N
MW199.29 g/mol
LogP3.16
Rot. Bonds3

About 2-fluoro-4-(2-methylpropylsulfanyl)aniline

2-fluoro-4-(2-methylpropylsulfanyl)aniline (PubChem CID 79140638) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylpropylsulfanyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(2-methylpropylsulfanyl)aniline
PubChem CID79140638
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-fluoro-4-(2-methylpropylsulfanyl)aniline
SMILESCC(C)CSc1ccc(N)c(F)c1
InChIInChI=1S/C10H14FNS/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3
InChIKeyLPWXINWYODNIJF-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
methyl 3-(4-amino-3-fluorophenyl)sulfanyl-2-bromopropanoate
CID 81091420
2-fluoro-4-[2-(4-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79141658
4-(3,3-dimethylbutylsulfanyl)-2-fluoroaniline
CID 79140918
N-[2-amino-5-(2-methylpropylsulfanyl)phenyl]acetamide
CID 20567278
2-fluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79141488
2-fluoro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline
CID 79141898
2-fluoro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79140937
2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline
CID 79141008
2-fluoro-4-(methyldisulfanyl)aniline
CID 18377625
2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 79141636
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylpropylsulfanyl)aniline?
The IUPAC name of 2-fluoro-4-(2-methylpropylsulfanyl)aniline (CID 79140638) is 2-fluoro-4-(2-methylpropylsulfanyl)aniline.
What is the SMILES notation for 2-fluoro-4-(2-methylpropylsulfanyl)aniline?
The canonical SMILES for 2-fluoro-4-(2-methylpropylsulfanyl)aniline is CC(C)CSc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylpropylsulfanyl)aniline?
The InChIKey is LPWXINWYODNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7(2)6-13-8-3-4-10(12)9(11)5-8/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 2-fluoro-4-(2-methylpropylsulfanyl)aniline?
2-fluoro-4-(2-methylpropylsulfanyl)aniline has a molecular weight of 199.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylpropylsulfanyl)aniline is sourced from PubChem (CID 79140638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).