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

C16H24FN — CID 81012661

IUPAC[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3
InChIKeyLIPQBZUSZNMVMT-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.77
Rot. Bonds4

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

[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 81012661) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
PubChem CID81012661
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3
InChIKeyLIPQBZUSZNMVMT-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine (CID 81012661) is [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine is CCC1CCC(CN)C(Cc2ccc(F)cc2)C1.
What is the InChIKey of [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is LIPQBZUSZNMVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-12-3-6-14(11-18)15(9-12)10-13-4-7-16(17)8-5-13/h4-5,7-8,12,14-15H,2-3,6,9-11,18H2,1H3.
What are the key properties of [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine?
[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 249.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).