[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine

C16H23FN2 — CID 79687951

IUPAC[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
SMILESNCc1cc(N2CC3(CCCCCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2/c17-15-6-5-14(9-13(15)10-18)19-11-16(12-19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyXAQRQEVMBVHMPZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.44
Rot. Bonds2

About [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine

[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine (PubChem CID 79687951) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
PubChem CID79687951
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine
SMILESNCc1cc(N2CC3(CCCCCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2/c17-15-6-5-14(9-13(15)10-18)19-11-16(12-19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyXAQRQEVMBVHMPZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine (CID 79687951) is [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine is NCc1cc(N2CC3(CCCCCC3)C2)ccc1F.
What is the InChIKey of [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine?
The InChIKey is XAQRQEVMBVHMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-15-6-5-14(9-13(15)10-18)19-11-16(12-19)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-12,18H2.
What are the key properties of [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine?
[5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine has a molecular weight of 262.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-azaspiro[3.6]decan-2-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 79687951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).