2-(4-fluorobutyl)-N,N-dimethylaniline

C12H18FN — CID 70018698

IUPAC2-(4-fluorobutyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CCCCF
InChIInChI=1S/C12H18FN/c1-14(2)12-9-4-3-7-11(12)8-5-6-10-13/h3-4,7,9H,5-6,8,10H2,1-2H3
InChIKeyBKMFBQAYAPMCNU-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.04
Rot. Bonds5

About 2-(4-fluorobutyl)-N,N-dimethylaniline

2-(4-fluorobutyl)-N,N-dimethylaniline (PubChem CID 70018698) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(4-fluorobutyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4-fluorobutyl)-N,N-dimethylaniline
PubChem CID70018698
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(4-fluorobutyl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1CCCCF
InChIInChI=1S/C12H18FN/c1-14(2)12-9-4-3-7-11(12)8-5-6-10-13/h3-4,7,9H,5-6,8,10H2,1-2H3
InChIKeyBKMFBQAYAPMCNU-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4-fluorobutyl)-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobutyl)-N,N-dimethylaniline?
The IUPAC name of 2-(4-fluorobutyl)-N,N-dimethylaniline (CID 70018698) is 2-(4-fluorobutyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(4-fluorobutyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(4-fluorobutyl)-N,N-dimethylaniline is CN(C)c1ccccc1CCCCF.
What is the InChIKey of 2-(4-fluorobutyl)-N,N-dimethylaniline?
The InChIKey is BKMFBQAYAPMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-14(2)12-9-4-3-7-11(12)8-5-6-10-13/h3-4,7,9H,5-6,8,10H2,1-2H3.
What are the key properties of 2-(4-fluorobutyl)-N,N-dimethylaniline?
2-(4-fluorobutyl)-N,N-dimethylaniline has a molecular weight of 195.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobutyl)-N,N-dimethylaniline is sourced from PubChem (CID 70018698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).