[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine

C15H22FN — CID 81010427

IUPAC[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cccc(F)c2)C1
InChIInChI=1S/C15H22FN/c1-2-11-6-7-13(10-17)15(8-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3
InChIKeySGJBFZCRHQWQGF-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.69
Rot. Bonds3

About [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine

[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine (PubChem CID 81010427) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
PubChem CID81010427
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2cccc(F)c2)C1
InChIInChI=1S/C15H22FN/c1-2-11-6-7-13(10-17)15(8-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3
InChIKeySGJBFZCRHQWQGF-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine (CID 81010427) is [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine is CCC1CCC(CN)C(c2cccc(F)c2)C1.
What is the InChIKey of [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine?
The InChIKey is SGJBFZCRHQWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-11-6-7-13(10-17)15(8-11)12-4-3-5-14(16)9-12/h3-5,9,11,13,15H,2,6-8,10,17H2,1H3.
What are the key properties of [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine?
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 81010427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).