N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline

C21H24N2 — CID 139890015

IUPACN-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline
SMILESCNc1ccccc1C1C2C=CC(C2)C1c1ccccc1NC
InChIInChI=1S/C21H24N2/c1-22-18-9-5-3-7-16(18)20-14-11-12-15(13-14)21(20)17-8-4-6-10-19(17)23-2/h3-12,14-15,20-23H,13H2,1-2H3
InChIKeyYTPSBBGIIZRNHF-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.84
Rot. Bonds4

About N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline

N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline (PubChem CID 139890015) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline
PubChem CID139890015
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC NameN-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline
SMILESCNc1ccccc1C1C2C=CC(C2)C1c1ccccc1NC
InChIInChI=1S/C21H24N2/c1-22-18-9-5-3-7-16(18)20-14-11-12-15(13-14)21(20)17-8-4-6-10-19(17)23-2/h3-12,14-15,20-23H,13H2,1-2H3
InChIKeyYTPSBBGIIZRNHF-UHFFFAOYSA-N
XLogP4.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline?
The IUPAC name of N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline (CID 139890015) is N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline.
What is the SMILES notation for N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline?
The canonical SMILES for N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline is CNc1ccccc1C1C2C=CC(C2)C1c1ccccc1NC.
What is the InChIKey of N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline?
The InChIKey is YTPSBBGIIZRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-22-18-9-5-3-7-16(18)20-14-11-12-15(13-14)21(20)17-8-4-6-10-19(17)23-2/h3-12,14-15,20-23H,13H2,1-2H3.
What are the key properties of N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline?
N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline has a molecular weight of 304.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[2-(methylamino)phenyl]-2-bicyclo[2.2.1]hept-5-enyl]aniline is sourced from PubChem (CID 139890015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).