1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine

C13H18FN3 — CID 142959112

IUPAC1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CC=NCC2)c(F)c1
InChIInChI=1S/C13H18FN3/c1-16(2)10-11-3-4-13(12(14)9-11)17-7-5-15-6-8-17/h3-5,9H,6-8,10H2,1-2H3
InChIKeyCSKDGMMACRUSTM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.78
Rot. Bonds3

About 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine

1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine (PubChem CID 142959112) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine
PubChem CID142959112
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(N2CC=NCC2)c(F)c1
InChIInChI=1S/C13H18FN3/c1-16(2)10-11-3-4-13(12(14)9-11)17-7-5-15-6-8-17/h3-5,9H,6-8,10H2,1-2H3
InChIKeyCSKDGMMACRUSTM-UHFFFAOYSA-N
XLogP1.78
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine (CID 142959112) is 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(N2CC=NCC2)c(F)c1.
What is the InChIKey of 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine?
The InChIKey is CSKDGMMACRUSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-16(2)10-11-3-4-13(12(14)9-11)17-7-5-15-6-8-17/h3-5,9H,6-8,10H2,1-2H3.
What are the key properties of 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine?
1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine has a molecular weight of 235.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dihydro-2H-pyrazin-4-yl)-3-fluorophenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 142959112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).