[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine

C16H24FN — CID 81012117

IUPAC[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-2-3-12-4-5-14(11-18)16(10-12)13-6-8-15(17)9-7-13/h6-9,12,14,16H,2-5,10-11,18H2,1H3
InChIKeyQZWBJZRYYGOOPA-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.08
Rot. Bonds4

About [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine

[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine (PubChem CID 81012117) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
PubChem CID81012117
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN/c1-2-3-12-4-5-14(11-18)16(10-12)13-6-8-15(17)9-7-13/h6-9,12,14,16H,2-5,10-11,18H2,1H3
InChIKeyQZWBJZRYYGOOPA-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine (CID 81012117) is [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine?
The InChIKey is QZWBJZRYYGOOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-2-3-12-4-5-14(11-18)16(10-12)13-6-8-15(17)9-7-13/h6-9,12,14,16H,2-5,10-11,18H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine?
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine has a molecular weight of 249.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 81012117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).