4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline

C13H16BrF2N — CID 107079915

IUPAC4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
SMILESCN(c1c(F)cc(CBr)cc1F)C1CCCC1
InChIInChI=1S/C13H16BrF2N/c1-17(10-4-2-3-5-10)13-11(15)6-9(8-14)7-12(13)16/h6-7,10H,2-5,8H2,1H3
InChIKeyQFBMKAVTKLFBBI-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.24
Rot. Bonds3

About 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline

4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline (PubChem CID 107079915) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
PubChem CID107079915
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline
SMILESCN(c1c(F)cc(CBr)cc1F)C1CCCC1
InChIInChI=1S/C13H16BrF2N/c1-17(10-4-2-3-5-10)13-11(15)6-9(8-14)7-12(13)16/h6-7,10H,2-5,8H2,1H3
InChIKeyQFBMKAVTKLFBBI-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2,6-difluoro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 107081296
N-[4-(chloromethyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63540066
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
N-[4-(2-aminopropyl)-2,6-difluorophenyl]-N-methylcycloheptanamine
CID 63785833
4-(bromomethyl)-N-(cyclohexylmethyl)-2,6-difluoro-N-methylaniline
CID 107081456
4-(bromomethyl)-N-cyclopropyl-2-fluoro-N-methylaniline
CID 107079857
4-[cycloheptyl(methyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286544
5-(bromomethyl)-N-cyclohexyl-N,3-dimethylpyridin-2-amine
CID 107079358
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
5-(bromomethyl)-N-cyclohexyl-N-methylpyridin-2-amine
CID 107079365
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339
5-(bromomethyl)-N-cycloheptyl-N-methylpyridin-2-amine
CID 107080628

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline?
The IUPAC name of 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline (CID 107079915) is 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline.
What is the SMILES notation for 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline?
The canonical SMILES for 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline is CN(c1c(F)cc(CBr)cc1F)C1CCCC1.
What is the InChIKey of 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline?
The InChIKey is QFBMKAVTKLFBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-17(10-4-2-3-5-10)13-11(15)6-9(8-14)7-12(13)16/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline?
4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline has a molecular weight of 304.18 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclopentyl-2,6-difluoro-N-methylaniline is sourced from PubChem (CID 107079915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).