N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine

C15H13FN2S — CID 115617458

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1cc2ccccc2s1
InChIInChI=1S/C15H13FN2S/c1-10(17-15-8-4-7-14(16)18-15)13-9-11-5-2-3-6-12(11)19-13/h2-10H,1H3,(H,17,18)
InChIKeyGJBMAPKQVFXQHT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.61
Rot. Bonds3

About N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine

N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine (PubChem CID 115617458) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine
PubChem CID115617458
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine
SMILESCC(Nc1cccc(F)n1)c1cc2ccccc2s1
InChIInChI=1S/C15H13FN2S/c1-10(17-15-8-4-7-14(16)18-15)13-9-11-5-2-3-6-12(11)19-13/h2-10H,1H3,(H,17,18)
InChIKeyGJBMAPKQVFXQHT-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-2-bromo-5-fluoroaniline
CID 107633231
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dichloroaniline
CID 114909675
N-[1-(3,5-dimethylphenyl)ethyl]-6-fluoropyridin-2-amine
CID 113233091
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
CID 114909636
N-[1-(1-benzothiophen-2-yl)ethyl]-2-fluoro-5-methoxyaniline
CID 114909985
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
CID 107678990
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4-dichloroaniline
CID 114909583
N-[1-(1-benzothiophen-2-yl)ethyl]-2,5-dibromoaniline
CID 114909766
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine (CID 115617458) is N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine is CC(Nc1cccc(F)n1)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine?
The InChIKey is GJBMAPKQVFXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10(17-15-8-4-7-14(16)18-15)13-9-11-5-2-3-6-12(11)19-13/h2-10H,1H3,(H,17,18).
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine?
N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-6-fluoropyridin-2-amine is sourced from PubChem (CID 115617458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).