N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline

C14H15BrFN — CID 43759750

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CC2C=CC1C2
InChIInChI=1S/C14H15BrFN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,17H,5-6,8H2
InChIKeyWLPDKYUHWMGNBW-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.21
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline (PubChem CID 43759750) has the molecular formula C14H15BrFN and a molecular weight of 296.18 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline
PubChem CID43759750
Molecular FormulaC14H15BrFN
Molecular Weight296.18 g/mol
Exact Mass295.04
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline
SMILESFc1cc(Br)ccc1NCC1CC2C=CC1C2
InChIInChI=1S/C14H15BrFN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,17H,5-6,8H2
InChIKeyWLPDKYUHWMGNBW-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2,6-difluoroaniline
CID 65467908
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-bromoaniline
CID 43762851
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
CID 43764109
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-bromo-5-methylaniline
CID 82761415
4-bromo-N-(cyclohexylmethyl)-2-fluoroaniline
CID 29052172
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dimethoxyaniline
CID 43758056
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
(4-bromo-2-fluorophenyl)hydrazine;hydrobromide
CID 138619628
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
CID 81382032
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,5-dichloroaniline
CID 43760335

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline (CID 43759750) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline is Fc1cc(Br)ccc1NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline?
The InChIKey is WLPDKYUHWMGNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN/c15-12-3-4-14(13(16)7-12)17-8-11-6-9-1-2-10(11)5-9/h1-4,7,9-11,17H,5-6,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline has a molecular weight of 296.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-bromo-2-fluoroaniline is sourced from PubChem (CID 43759750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).