1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine

C18H22FN — CID 58954794

IUPAC1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(c2ccc3ccccc3c2)CCC(F)CC1
InChIInChI=1S/C18H22FN/c1-20-13-18(10-8-17(19)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17,20H,8-11,13H2,1H3
InChIKeyKAQUOFCNEYORCQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.21
Rot. Bonds3

About 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine

1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine (PubChem CID 58954794) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
PubChem CID58954794
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(c2ccc3ccccc3c2)CCC(F)CC1
InChIInChI=1S/C18H22FN/c1-20-13-18(10-8-17(19)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17,20H,8-11,13H2,1H3
InChIKeyKAQUOFCNEYORCQ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-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-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine (CID 58954794) is 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine is CNCC1(c2ccc3ccccc3c2)CCC(F)CC1.
What is the InChIKey of 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is KAQUOFCNEYORCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-20-13-18(10-8-17(19)9-11-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,17,20H,8-11,13H2,1H3.
What are the key properties of 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 271.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 58954794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).