1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine

C18H24FNO — CID 43786850

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1F
InChIInChI=1S/C18H24FNO/c1-11(14-6-7-18(21-3)17(19)10-14)20-12(2)16-9-13-4-5-15(16)8-13/h4-7,10-13,15-16,20H,8-9H2,1-3H3
InChIKeyWUDJEDUFCFWZKH-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine (PubChem CID 43786850) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
PubChem CID43786850
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1F
InChIInChI=1S/C18H24FNO/c1-11(14-6-7-18(21-3)17(19)10-14)20-12(2)16-9-13-4-5-15(16)8-13/h4-7,10-13,15-16,20H,8-9H2,1-3H3
InChIKeyWUDJEDUFCFWZKH-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.09
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

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]ethanamine
CID 81353460
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-2-methoxyaniline
CID 43760993
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892503
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-3-en-2-amine
CID 115727846
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768140
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725240
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine (CID 43786850) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine is COc1ccc(C(C)NC(C)C2CC3C=CC2C3)cc1F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine?
The InChIKey is WUDJEDUFCFWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-11(14-6-7-18(21-3)17(19)10-14)20-12(2)16-9-13-4-5-15(16)8-13/h4-7,10-13,15-16,20H,8-9H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine has a molecular weight of 289.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanamine is sourced from PubChem (CID 43786850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).