N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline

C15H21BrFN — CID 65003098

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(CC1(CBr)CCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21BrFN/c1-2-18(14-7-5-6-13(17)10-14)12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3
InChIKeyRYMBHAUEVBUPKY-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.61
Rot. Bonds5

About N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline

N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline (PubChem CID 65003098) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
PubChem CID65003098
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline
SMILESCCN(CC1(CBr)CCCC1)c1cccc(F)c1
InChIInChI=1S/C15H21BrFN/c1-2-18(14-7-5-6-13(17)10-14)12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3
InChIKeyRYMBHAUEVBUPKY-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.61
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

N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
N-ethyl-3-fluoro-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63495148
N-ethyl-N-[(4-ethylpiperidin-4-yl)methyl]-3-fluoroaniline
CID 63129780
[3-[(N-ethyl-3-fluoroanilino)methyl]oxan-3-yl]methanol
CID 63745907
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethyl-2-fluoroaniline
CID 65010526
N-ethyl-3-fluoro-N-[(2-propylpyrrolidin-2-yl)methyl]aniline
CID 106976356
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
CID 62272788
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylaniline
CID 65010121
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-ethyl-4-fluoroaniline
CID 115449003
N-[[3,3-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-ethyl-3-fluoroaniline
CID 79842644
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
3-[[1-(bromomethyl)cyclopentyl]methyl-methylamino]benzonitrile
CID 65003005

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline (CID 65003098) is N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline is CCN(CC1(CBr)CCCC1)c1cccc(F)c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline?
The InChIKey is RYMBHAUEVBUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-18(14-7-5-6-13(17)10-14)12-15(11-16)8-3-4-9-15/h5-7,10H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline?
N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline has a molecular weight of 314.24 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-N-ethyl-3-fluoroaniline is sourced from PubChem (CID 65003098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).