N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline

C18H25NO — CID 43792097

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H25NO/c1-3-20-12-16-6-4-5-7-18(16)19-13(2)17-11-14-8-9-15(17)10-14/h4-9,13-15,17,19H,3,10-12H2,1-2H3
InChIKeyVVBPVWGFYOKKHD-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.24
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline (PubChem CID 43792097) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline
PubChem CID43792097
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H25NO/c1-3-20-12-16-6-4-5-7-18(16)19-13(2)17-11-14-8-9-15(17)10-14/h4-9,13-15,17,19H,3,10-12H2,1-2H3
InChIKeyVVBPVWGFYOKKHD-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.24
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

2-(ethoxymethyl)-N-(4-methylpentan-2-yl)aniline
CID 43750390
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114880
4-[1-[2-(ethoxymethyl)anilino]ethyl]phenol
CID 43750386
2-(ethoxymethyl)-N-(piperidin-4-ylmethyl)aniline
CID 79707928
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methoxy-5-methylaniline
CID 43761121
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
CID 43750243
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-ethylsulfonylaniline
CID 43782392

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline (CID 43792097) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline?
The InChIKey is VVBPVWGFYOKKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-20-12-16-6-4-5-7-18(16)19-13(2)17-11-14-8-9-15(17)10-14/h4-9,13-15,17,19H,3,10-12H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-(ethoxymethyl)aniline has a molecular weight of 271.40 g/mol, XLogP of 4.24, 6 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-(ethoxymethyl)aniline is sourced from PubChem (CID 43792097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).