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

C12H16BrFN2 — CID 66109733

IUPAC4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1(Nc2cc(F)c(Br)cc2N)CCCC1
InChIInChI=1S/C12H16BrFN2/c1-12(4-2-3-5-12)16-11-7-9(14)8(13)6-10(11)15/h6-7,16H,2-5,15H2,1H3
InChIKeyASVWUISHNAQASD-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.91
Rot. Bonds2

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

4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 66109733) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
PubChem CID66109733
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine
SMILESCC1(Nc2cc(F)c(Br)cc2N)CCCC1
InChIInChI=1S/C12H16BrFN2/c1-12(4-2-3-5-12)16-11-7-9(14)8(13)6-10(11)15/h6-7,16H,2-5,15H2,1H3
InChIKeyASVWUISHNAQASD-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine (CID 66109733) is 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine is CC1(Nc2cc(F)c(Br)cc2N)CCCC1.
What is the InChIKey of 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is ASVWUISHNAQASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-12(4-2-3-5-12)16-11-7-9(14)8(13)6-10(11)15/h6-7,16H,2-5,15H2,1H3.
What are the key properties of 4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine?
4-bromo-5-fluoro-1-N-(1-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 287.18 g/mol, XLogP of 3.91, 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-1-N-(1-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 66109733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).