N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine

C18H24FN — CID 62995231

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H24FN/c1-12(9-14-4-7-17(19)8-5-14)20-13(2)18-11-15-3-6-16(18)10-15/h3-8,12-13,15-16,18,20H,9-11H2,1-2H3
InChIKeyGDKQNKMWAAWERG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.95
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 62995231) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID62995231
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H24FN/c1-12(9-14-4-7-17(19)8-5-14)20-13(2)18-11-15-3-6-16(18)10-15/h3-8,12-13,15-16,18,20H,9-11H2,1-2H3
InChIKeyGDKQNKMWAAWERG-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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]-4-fluoroaniline
CID 43762976
N-[(1S)-1-cyclopentylethyl]-1-(4-fluorophenyl)propan-2-amine
CID 104979804
(2R)-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-phenylpropan-1-ol
CID 107860728
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
CID 43784498
4-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43761165
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
1-(4-fluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 62995406
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoro-2-nitroaniline
CID 43781447
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
CID 81364480
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine (CID 62995231) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is GDKQNKMWAAWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-12(9-14-4-7-17(19)8-5-14)20-13(2)18-11-15-3-6-16(18)10-15/h3-8,12-13,15-16,18,20H,9-11H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 273.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 62995231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).