4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine

C11H17FN2S — CID 112657072

IUPAC4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
SMILESCSCC(C)N(C)c1cc(F)ccc1N
InChIInChI=1S/C11H17FN2S/c1-8(7-15-3)14(2)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyPJLLFPQTBWPWFY-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.60
Rot. Bonds4

About 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine (PubChem CID 112657072) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
PubChem CID112657072
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
SMILESCSCC(C)N(C)c1cc(F)ccc1N
InChIInChI=1S/C11H17FN2S/c1-8(7-15-3)14(2)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyPJLLFPQTBWPWFY-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.60
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

4-fluoro-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)benzene-1,2-diamine
CID 112656941
4-chloro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657083
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 103955080
2-(bromomethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 107085011
4-fluoro-2-N-methyl-2-N-(3-methylbutan-2-yl)benzene-1,2-diamine
CID 62378498
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660621
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
4-methoxy-1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine
CID 112657045
2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
1-(5-fluoro-2-methylphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 114075583

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine (CID 112657072) is 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine is CSCC(C)N(C)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is PJLLFPQTBWPWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-8(7-15-3)14(2)11-6-9(12)4-5-10(11)13/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 112657072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).