N-(9-bromononyl)-N-ethyl-4-fluoroaniline

C17H27BrFN — CID 105343736

IUPACN-(9-bromononyl)-N-ethyl-4-fluoroaniline
SMILESCCN(CCCCCCCCCBr)c1ccc(F)cc1
InChIInChI=1S/C17H27BrFN/c1-2-20(17-12-10-16(19)11-13-17)15-9-7-5-3-4-6-8-14-18/h10-13H,2-9,14-15H2,1H3
InChIKeyIEQOGEYAWBDWRP-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.78
Rot. Bonds11

About N-(9-bromononyl)-N-ethyl-4-fluoroaniline

N-(9-bromononyl)-N-ethyl-4-fluoroaniline (PubChem CID 105343736) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is N-(9-bromononyl)-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-(9-bromononyl)-N-ethyl-4-fluoroaniline
PubChem CID105343736
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC NameN-(9-bromononyl)-N-ethyl-4-fluoroaniline
SMILESCCN(CCCCCCCCCBr)c1ccc(F)cc1
InChIInChI=1S/C17H27BrFN/c1-2-20(17-12-10-16(19)11-13-17)15-9-7-5-3-4-6-8-14-18/h10-13H,2-9,14-15H2,1H3
InChIKeyIEQOGEYAWBDWRP-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
4-fluoro-N,N-dioctylaniline
CID 91747748
N,N-diethyl-4-fluoroaniline
CID 592416
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410
N,N-dibutyl-4-fluoroaniline
CID 15399711
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842
N-[2-(bromomethyl)butyl]-N-ethyl-4-fluoroaniline
CID 64997671
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N-(3-bromo-2-methylpropyl)-N-ethyl-4-fluoroaniline
CID 64996414
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
3-(aminomethyl)-6-(N-ethyl-4-fluoroanilino)hexan-3-ol
CID 106811339

Frequently Asked Questions

What is the IUPAC name of N-(9-bromononyl)-N-ethyl-4-fluoroaniline?
The IUPAC name of N-(9-bromononyl)-N-ethyl-4-fluoroaniline (CID 105343736) is N-(9-bromononyl)-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-(9-bromononyl)-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-(9-bromononyl)-N-ethyl-4-fluoroaniline is CCN(CCCCCCCCCBr)c1ccc(F)cc1.
What is the InChIKey of N-(9-bromononyl)-N-ethyl-4-fluoroaniline?
The InChIKey is IEQOGEYAWBDWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-2-20(17-12-10-16(19)11-13-17)15-9-7-5-3-4-6-8-14-18/h10-13H,2-9,14-15H2,1H3.
What are the key properties of N-(9-bromononyl)-N-ethyl-4-fluoroaniline?
N-(9-bromononyl)-N-ethyl-4-fluoroaniline has a molecular weight of 344.31 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromononyl)-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 105343736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).