1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine

C14H20FN — CID 58954797

IUPAC1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H20FN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyCNFIEJOULHZGQS-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine

1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 58954797) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
PubChem CID58954797
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C14H20FN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3
InChIKeyCNFIEJOULHZGQS-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine (CID 58954797) is 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine is CNCC1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is CNFIEJOULHZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-16-11-14(9-3-2-4-10-14)12-5-7-13(15)8-6-12/h5-8,16H,2-4,9-11H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine?
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 58954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).