(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine

C17H23NO — CID 81371542

IUPAC(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C17H23NO/c1-12(14-5-7-17(19-2)8-6-14)18-11-16-10-13-3-4-15(16)9-13/h3-8,12-13,15-16,18H,9-11H2,1-2H3/t12-,13?,15?,16?/m1/s1
InChIKeyLYBYNFPXKOGJEL-KHZFOJANSA-N
MW257.38 g/mol
LogP3.56
Rot. Bonds5

About (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine

(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 81371542) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
PubChem CID81371542
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C17H23NO/c1-12(14-5-7-17(19-2)8-6-14)18-11-16-10-13-3-4-15(16)9-13/h3-8,12-13,15-16,18H,9-11H2,1-2H3/t12-,13?,15?,16?/m1/s1
InChIKeyLYBYNFPXKOGJEL-KHZFOJANSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
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 (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine (CID 81371542) is (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCC2CC3C=CC2C3)cc1.
What is the InChIKey of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is LYBYNFPXKOGJEL-KHZFOJANSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(14-5-7-17(19-2)8-6-14)18-11-16-10-13-3-4-15(16)9-13/h3-8,12-13,15-16,18H,9-11H2,1-2H3/t12-,13?,15?,16?/m1/s1.
What are the key properties of (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine?
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81371542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).