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

C13H19FN2 — CID 103590389

IUPAC4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCc1cc(NC2CCCC2C)c(N)cc1F
InChIInChI=1S/C13H19FN2/c1-8-4-3-5-12(8)16-13-6-9(2)10(14)7-11(13)15/h6-8,12,16H,3-5,15H2,1-2H3
InChIKeyFUTFSBWTURYQJF-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.32
Rot. Bonds2

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

4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 103590389) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
PubChem CID103590389
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCc1cc(NC2CCCC2C)c(N)cc1F
InChIInChI=1S/C13H19FN2/c1-8-4-3-5-12(8)16-13-6-9(2)10(14)7-11(13)15/h6-8,12,16H,3-5,15H2,1-2H3
InChIKeyFUTFSBWTURYQJF-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 116735934
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
CID 114121281
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589776
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
2,5-difluoro-N-(2-methylcyclopentyl)aniline
CID 65046744
4-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 103590549
4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine (CID 103590389) is 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine is Cc1cc(NC2CCCC2C)c(N)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is FUTFSBWTURYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-8-4-3-5-12(8)16-13-6-9(2)10(14)7-11(13)15/h6-8,12,16H,3-5,15H2,1-2H3.
What are the key properties of 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine?
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 222.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 103590389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).