1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine

C13H19FN2S — CID 114121302

IUPAC1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
SMILESCCSC1CCCC1Nc1ccc(N)cc1F
InChIInChI=1S/C13H19FN2S/c1-2-17-13-5-3-4-12(13)16-11-7-6-9(15)8-10(11)14/h6-8,12-13,16H,2-5,15H2,1H3
InChIKeyRQADVCSBVMUYOT-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.49
Rot. Bonds4

About 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine

1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine (PubChem CID 114121302) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
PubChem CID114121302
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine
SMILESCCSC1CCCC1Nc1ccc(N)cc1F
InChIInChI=1S/C13H19FN2S/c1-2-17-13-5-3-4-12(13)16-11-7-6-9(15)8-10(11)14/h6-8,12-13,16H,2-5,15H2,1H3
InChIKeyRQADVCSBVMUYOT-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.49
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

5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
3-N-(2-ethylsulfanylcyclopentyl)-2-methylbenzene-1,3-diamine
CID 114121308
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114121331
3-bromo-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]pyridin-4-amine
CID 124679598
N-[(3,4-difluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121381
N-[(4-bromo-3-fluorophenyl)methyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121487
2-[(2-ethylsulfanylcyclopentyl)amino]benzoic acid
CID 114121676
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine (CID 114121302) is 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine is CCSC1CCCC1Nc1ccc(N)cc1F.
What is the InChIKey of 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is RQADVCSBVMUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-2-17-13-5-3-4-12(13)16-11-7-6-9(15)8-10(11)14/h6-8,12-13,16H,2-5,15H2,1H3.
What are the key properties of 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine?
1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 254.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 114121302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).