4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine

C13H19FN2S — CID 114121281

IUPAC4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
SMILESCSC1CCCC1Nc1cc(C)c(F)cc1N
InChIInChI=1S/C13H19FN2S/c1-8-6-12(10(15)7-9(8)14)16-11-4-3-5-13(11)17-2/h6-7,11,13,16H,3-5,15H2,1-2H3
InChIKeyHXDISARXDDYWQL-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.41
Rot. Bonds3

About 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine

4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine (PubChem CID 114121281) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
PubChem CID114121281
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
SMILESCSC1CCCC1Nc1cc(C)c(F)cc1N
InChIInChI=1S/C13H19FN2S/c1-8-6-12(10(15)7-9(8)14)16-11-4-3-5-13(11)17-2/h6-7,11,13,16H,3-5,15H2,1-2H3
InChIKeyHXDISARXDDYWQL-UHFFFAOYSA-N
XLogP3.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
4-chloro-5-fluoro-1-N-(2-methylsulfanylcyclohexyl)benzene-1,2-diamine
CID 114122397
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
2-methyl-3-N-(2-methylsulfanylcyclohexyl)benzene-1,3-diamine
CID 114122381
1-N-(2-methylsulfanylcyclopentyl)-4-nitrobenzene-1,2-diamine
CID 114121297
4-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770
4-methyl-2-N-(2-methylsulfanylcyclohexyl)pyridine-2,5-diamine
CID 114122386
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 103590549
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934
3,5-difluoro-2-N-methyl-6-N-(2-methylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122146
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
6-amino-7-[(2-methylsulfanylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136811881

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine (CID 114121281) is 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine is CSC1CCCC1Nc1cc(C)c(F)cc1N.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine?
The InChIKey is HXDISARXDDYWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-8-6-12(10(15)7-9(8)14)16-11-4-3-5-13(11)17-2/h6-7,11,13,16H,3-5,15H2,1-2H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine has a molecular weight of 254.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 114121281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).