N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine

C18H23F2N — CID 60943839

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H23F2N/c1-11(8-16-17(19)4-3-5-18(16)20)21-12(2)15-10-13-6-7-14(15)9-13/h3-7,11-15,21H,8-10H2,1-2H3
InChIKeyGQBSHXHZDARTIV-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine (PubChem CID 60943839) has the molecular formula C18H23F2N and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine
PubChem CID60943839
Molecular FormulaC18H23F2N
Molecular Weight291.38 g/mol
Exact Mass291.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C18H23F2N/c1-11(8-16-17(19)4-3-5-18(16)20)21-12(2)15-10-13-6-7-14(15)9-13/h3-7,11-15,21H,8-10H2,1-2H3
InChIKeyGQBSHXHZDARTIV-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.09
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]-1-(4-fluorophenyl)propan-2-amine
CID 62995231
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]ethanamine
CID 81353460
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
CID 81364480
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-propan-2-ylphenyl)ethyl]ethanamine
CID 43784498
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
CID 115900838
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98288474
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
CID 64792610
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
CID 43758490
1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881680
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine (CID 60943839) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine is CC(Cc1c(F)cccc1F)NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine?
The InChIKey is GQBSHXHZDARTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N/c1-11(8-16-17(19)4-3-5-18(16)20)21-12(2)15-10-13-6-7-14(15)9-13/h3-7,11-15,21H,8-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2,6-difluorophenyl)propan-2-amine has a molecular weight of 291.38 g/mol, XLogP of 4.09, 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-(2,6-difluorophenyl)propan-2-amine is sourced from PubChem (CID 60943839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).