2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline

C12H15ClFN — CID 64502485

IUPAC2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFN/c1-8-2-4-10(6-8)15-12-5-3-9(14)7-11(12)13/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyFGBMAXBQGVUTDH-UHFFFAOYSA-N
MW227.71 g/mol
LogP4.08
Rot. Bonds2

About 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline

2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline (PubChem CID 64502485) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
PubChem CID64502485
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H15ClFN/c1-8-2-4-10(6-8)15-12-5-3-9(14)7-11(12)13/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyFGBMAXBQGVUTDH-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline (CID 64502485) is 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline?
The InChIKey is FGBMAXBQGVUTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-2-4-10(6-8)15-12-5-3-9(14)7-11(12)13/h3,5,7-8,10,15H,2,4,6H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline?
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline has a molecular weight of 227.71 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64502485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).