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

C12H16BrFN2 — CID 116735934

IUPAC4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1CCCC1Nc1cc(Br)c(F)cc1N
InChIInChI=1S/C12H16BrFN2/c1-7-3-2-4-11(7)16-12-5-8(13)9(14)6-10(12)15/h5-7,11,16H,2-4,15H2,1H3
InChIKeyYEVHBDPOXZWFPY-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.77
Rot. Bonds2

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

4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 116735934) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
PubChem CID116735934
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1CCCC1Nc1cc(Br)c(F)cc1N
InChIInChI=1S/C12H16BrFN2/c1-7-3-2-4-11(7)16-12-5-8(13)9(14)6-10(12)15/h5-7,11,16H,2-4,15H2,1H3
InChIKeyYEVHBDPOXZWFPY-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.77
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-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
2-bromo-4-fluoro-N-(2-methylcyclopentyl)aniline
CID 65046775
4-bromo-2-N-(4,4-dimethylcyclohexyl)-5-fluorobenzene-1,2-diamine
CID 116735998
2-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-bromo-5-fluorobenzene-1,2-diamine
CID 116735363
4-bromo-2-N-(2,2-dimethylcyclopentyl)-5-fluorobenzene-1,2-diamine
CID 116736105
2-amino-5-bromo-4-fluoro-N-(2-methylcycloheptyl)benzenesulfonamide
CID 106491879

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine (CID 116735934) is 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine is CC1CCCC1Nc1cc(Br)c(F)cc1N.
What is the InChIKey of 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is YEVHBDPOXZWFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-7-3-2-4-11(7)16-12-5-8(13)9(14)6-10(12)15/h5-7,11,16H,2-4,15H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine?
4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 287.18 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-N-(2-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 116735934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).