[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine

C18H27FN2 — CID 107113370

IUPAC[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cccc(CN2CCC3(CCCCC3)CC2)c1F
InChIInChI=1S/C18H27FN2/c19-17-15(13-20)5-4-6-16(17)14-21-11-9-18(10-12-21)7-2-1-3-8-18/h4-6H,1-3,7-14,20H2
InChIKeyVSCZSTGWAPSHAB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.83
Rot. Bonds3

About [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine

[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine (PubChem CID 107113370) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
PubChem CID107113370
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
SMILESNCc1cccc(CN2CCC3(CCCCC3)CC2)c1F
InChIInChI=1S/C18H27FN2/c19-17-15(13-20)5-4-6-16(17)14-21-11-9-18(10-12-21)7-2-1-3-8-18/h4-6H,1-3,7-14,20H2
InChIKeyVSCZSTGWAPSHAB-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-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 [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine?
The IUPAC name of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine (CID 107113370) is [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine is NCc1cccc(CN2CCC3(CCCCC3)CC2)c1F.
What is the InChIKey of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine?
The InChIKey is VSCZSTGWAPSHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c19-17-15(13-20)5-4-6-16(17)14-21-11-9-18(10-12-21)7-2-1-3-8-18/h4-6H,1-3,7-14,20H2.
What are the key properties of [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine?
[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).