N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline

C15H18FN — CID 43762976

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)C1CC2C=CC1C2
InChIInChI=1S/C15H18FN/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h2-7,10-12,15,17H,8-9H2,1H3
InChIKeyNZALOWMYLGTLGA-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.84
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline (PubChem CID 43762976) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
PubChem CID43762976
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1)C1CC2C=CC1C2
InChIInChI=1S/C15H18FN/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h2-7,10-12,15,17H,8-9H2,1H3
InChIKeyNZALOWMYLGTLGA-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
CID 64792610
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
CID 43790318
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-ethylsulfonylaniline
CID 43782392
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
CID 62995231
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43783964
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
CID 43758490
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine
CID 43768669
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoro-2-nitroaniline
CID 43781447
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-bromo-3,5-dimethylaniline
CID 107571952

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline (CID 43762976) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline?
The InChIKey is NZALOWMYLGTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-10(15-9-11-2-3-12(15)8-11)17-14-6-4-13(16)5-7-14/h2-7,10-12,15,17H,8-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline has a molecular weight of 231.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43762976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).