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

C17H23NO — CID 43761121

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H23NO/c1-11-4-7-17(19-3)16(8-11)18-12(2)15-10-13-5-6-14(15)9-13/h4-8,12-15,18H,9-10H2,1-3H3
InChIKeyFYLCTEJXTRGZNO-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.02
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline (PubChem CID 43761121) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline
PubChem CID43761121
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H23NO/c1-11-4-7-17(19-3)16(8-11)18-12(2)15-10-13-5-6-14(15)9-13/h4-8,12-15,18H,9-10H2,1-3H3
InChIKeyFYLCTEJXTRGZNO-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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]-5-bromo-2-methylaniline
CID 43787868
2-methoxy-5-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 113354819
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 43786850
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758
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-(ethoxymethyl)aniline
CID 43792097
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43781182
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylsulfonylaniline
CID 43789595
N-heptan-4-yl-2-methoxy-5-methylaniline
CID 29294066
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine
CID 107649415
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline (CID 43761121) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline?
The InChIKey is FYLCTEJXTRGZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11-4-7-17(19-3)16(8-11)18-12(2)15-10-13-5-6-14(15)9-13/h4-8,12-15,18H,9-10H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline has a molecular weight of 257.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 43761121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).