1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine

C14H19FN2 — CID 54980972

IUPAC1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-16-8-10-3-5-14(13(15)7-10)17-9-11-2-4-12(17)6-11/h3,5,7,11-12,16H,2,4,6,8-9H2,1H3
InChIKeyJDLWLWYKCBFZGI-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.53
Rot. Bonds3

About 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 54980972) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
PubChem CID54980972
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H19FN2/c1-16-8-10-3-5-14(13(15)7-10)17-9-11-2-4-12(17)6-11/h3,5,7,11-12,16H,2,4,6,8-9H2,1H3
InChIKeyJDLWLWYKCBFZGI-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine (CID 54980972) is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(N2CC3CCC2C3)c(F)c1.
What is the InChIKey of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is JDLWLWYKCBFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-16-8-10-3-5-14(13(15)7-10)17-9-11-2-4-12(17)6-11/h3,5,7,11-12,16H,2,4,6,8-9H2,1H3.
What are the key properties of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 234.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 54980972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).