1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine

C12H17FN2 — CID 103589776

IUPAC1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NC2CCCC2)c(N)cc1F
InChIInChI=1S/C12H17FN2/c1-8-6-12(11(14)7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyLSDNUBDQRBSTAH-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.07
Rot. Bonds2

About 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine

1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine (PubChem CID 103589776) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
PubChem CID103589776
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine
SMILESCc1cc(NC2CCCC2)c(N)cc1F
InChIInChI=1S/C12H17FN2/c1-8-6-12(11(14)7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3
InChIKeyLSDNUBDQRBSTAH-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.07
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-fluoro-5-methyl-1-N-(thian-4-yl)benzene-1,2-diamine
CID 103590770
1-N-(3,3-dimethylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590811
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
1-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590220
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964
3-N-cyclopentyl-4,6-difluorobenzene-1,3-diamine
CID 82933880
1-N-(3-ethylsulfanylcyclopentyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 114122558
4-fluoro-5-methyl-1-N-(2-methylsulfanylcyclopentyl)benzene-1,2-diamine
CID 114121281
4-fluoro-5-methyl-1-N-(2,2,3,3-tetramethylcyclopropyl)benzene-1,2-diamine
CID 103590549
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100112
1-N-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 59419710

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine (CID 103589776) is 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine is Cc1cc(NC2CCCC2)c(N)cc1F.
What is the InChIKey of 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine?
The InChIKey is LSDNUBDQRBSTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-6-12(11(14)7-10(8)13)15-9-4-2-3-5-9/h6-7,9,15H,2-5,14H2,1H3.
What are the key properties of 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine?
1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine has a molecular weight of 208.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-fluoro-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 103589776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).