1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine

C12H20FN — CID 122503523

IUPAC1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1CCC2CC(F)=CCC2C1
InChIInChI=1S/C12H20FN/c1-14-8-9-2-3-11-7-12(13)5-4-10(11)6-9/h5,9-11,14H,2-4,6-8H2,1H3
InChIKeyIJKNYSCFWINUHP-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.89
Rot. Bonds2

About 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine

1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine (PubChem CID 122503523) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine
PubChem CID122503523
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine
SMILESCNCC1CCC2CC(F)=CCC2C1
InChIInChI=1S/C12H20FN/c1-14-8-9-2-3-11-7-12(13)5-4-10(11)6-9/h5,9-11,14H,2-4,6-8H2,1H3
InChIKeyIJKNYSCFWINUHP-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine 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 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine (CID 122503523) is 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine is CNCC1CCC2CC(F)=CCC2C1.
What is the InChIKey of 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine?
The InChIKey is IJKNYSCFWINUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-14-8-9-2-3-11-7-12(13)5-4-10(11)6-9/h5,9-11,14H,2-4,6-8H2,1H3.
What are the key properties of 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine?
1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine has a molecular weight of 197.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 122503523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).