1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine

C17H23NO2 — CID 63362740

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-19-16-6-5-14(17(9-16)20-2)10-18-11-15-8-12-3-4-13(15)7-12/h3-6,9,12-13,15,18H,7-8,10-11H2,1-2H3
InChIKeyUPJCAAOXVNEXLG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine (PubChem CID 63362740) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
PubChem CID63362740
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2CC3C=CC2C3)c(OC)c1
InChIInChI=1S/C17H23NO2/c1-19-16-6-5-14(17(9-16)20-2)10-18-11-15-8-12-3-4-13(15)7-12/h3-6,9,12-13,15,18H,7-8,10-11H2,1-2H3
InChIKeyUPJCAAOXVNEXLG-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2,4-dimethoxyaniline
CID 43758056
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-methoxy-5-nitrophenyl)methyl]methanamine
CID 119153420
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chloro-5-methoxyaniline
CID 55192947
N-[(2,4-dimethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208780
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272495
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856902
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 43225192
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(2-fluoro-4-methoxyphenyl)urea
CID 118767553
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
1-[(3R)-1-cyclopropylpyrrolidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 93302744

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine (CID 63362740) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine is COc1ccc(CNCC2CC3C=CC2C3)c(OC)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
The InChIKey is UPJCAAOXVNEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-19-16-6-5-14(17(9-16)20-2)10-18-11-15-8-12-3-4-13(15)7-12/h3-6,9,12-13,15,18H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 63362740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).