4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine

C14H20ClFN2 — CID 66077665

IUPAC4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
SMILESCCC1CCC(Nc2cc(F)c(Cl)cc2N)C1C
InChIInChI=1S/C14H20ClFN2/c1-3-9-4-5-13(8(9)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyGERANVHCKNEPDE-UHFFFAOYSA-N
MW270.78 g/mol
LogP4.30
Rot. Bonds3

About 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine

4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine (PubChem CID 66077665) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
PubChem CID66077665
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
SMILESCCC1CCC(Nc2cc(F)c(Cl)cc2N)C1C
InChIInChI=1S/C14H20ClFN2/c1-3-9-4-5-13(8(9)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3
InChIKeyGERANVHCKNEPDE-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 54.30
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-ethoxy-2-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 64920927
4-chloro-1-N-cyclopentyl-5-fluorobenzene-1,2-diamine
CID 66077964
4-chloro-5-fluoro-1-N-(2-methylsulfanylcyclohexyl)benzene-1,2-diamine
CID 114122397
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 64922106
1-N-(3-ethyl-2-methylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 64920923
7-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]-4H-1,4-benzoxazin-3-one
CID 64921513
[2-(2-amino-5-chloro-4-fluoroanilino)cyclohexyl]methanol
CID 106359102
4-chloro-5-fluoro-1-N-(2-methyloxan-4-yl)benzene-1,2-diamine
CID 114107283
2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114195184
methyl 5-amino-3-chloro-2-[(3-ethyl-2-methylcyclopentyl)amino]benzoate
CID 107196102
5-amino-3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylbenzenesulfonamide
CID 79901581
3-N-(3-ethyl-2-methylcyclopentyl)-2-nitrobenzene-1,3-diamine
CID 80841593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine (CID 66077665) is 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine is CCC1CCC(Nc2cc(F)c(Cl)cc2N)C1C.
What is the InChIKey of 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
The InChIKey is GERANVHCKNEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-3-9-4-5-13(8(9)2)18-14-7-11(16)10(15)6-12(14)17/h6-9,13,18H,3-5,17H2,1-2H3.
What are the key properties of 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine?
4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine has a molecular weight of 270.78 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(3-ethyl-2-methylcyclopentyl)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 66077665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).