N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline

C16H20BrN — CID 43787868

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C16H20BrN/c1-10-3-6-14(17)9-16(10)18-11(2)15-8-12-4-5-13(15)7-12/h3-6,9,11-13,15,18H,7-8H2,1-2H3
InChIKeyZCPBJPMVSSTZJN-UHFFFAOYSA-N
MW306.25 g/mol
LogP4.77
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline (PubChem CID 43787868) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
PubChem CID43787868
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
SMILESCc1ccc(Br)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C16H20BrN/c1-10-3-6-14(17)9-16(10)18-11(2)15-8-12-4-5-13(15)7-12/h3-6,9,11-13,15,18H,7-8H2,1-2H3
InChIKeyZCPBJPMVSSTZJN-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 54.77
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]-5-bromo-2-methylaniline 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-bromo-3,5-dimethylaniline
CID 107571952
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-chloro-4-methylaniline
CID 43772670
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4,5-dimethyl-2-nitroaniline
CID 63478127
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylquinolin-8-amine
CID 63476704
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4-fluorobenzamide
CID 43783758
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylsulfonylaniline
CID 43789595
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,4-difluoro-5-nitroaniline
CID 43787026
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
CID 43758490
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline (CID 43787868) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline is Cc1ccc(Br)cc1NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline?
The InChIKey is ZCPBJPMVSSTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-10-3-6-14(17)9-16(10)18-11(2)15-8-12-4-5-13(15)7-12/h3-6,9,11-13,15,18H,7-8H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline has a molecular weight of 306.25 g/mol, XLogP of 4.77, 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]-5-bromo-2-methylaniline is sourced from PubChem (CID 43787868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).