[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine

C18H24FNO — CID 114735548

IUPAC[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C18H24FNO/c1-2-3-12-4-5-13(11-20)16(8-12)18-10-14-9-15(19)6-7-17(14)21-18/h6-7,9-10,12-13,16H,2-5,8,11,20H2,1H3
InChIKeyROQGVEBTJYXMQH-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.83
Rot. Bonds4

About [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine

[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine (PubChem CID 114735548) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
PubChem CID114735548
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(c2cc3cc(F)ccc3o2)C1
InChIInChI=1S/C18H24FNO/c1-2-3-12-4-5-13(11-20)16(8-12)18-10-14-9-15(19)6-7-17(14)21-18/h6-7,9-10,12-13,16H,2-5,8,11,20H2,1H3
InChIKeyROQGVEBTJYXMQH-UHFFFAOYSA-N
XLogP4.83
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine?
The IUPAC name of [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine (CID 114735548) is [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)C(c2cc3cc(F)ccc3o2)C1.
What is the InChIKey of [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine?
The InChIKey is ROQGVEBTJYXMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-2-3-12-4-5-13(11-20)16(8-12)18-10-14-9-15(19)6-7-17(14)21-18/h6-7,9-10,12-13,16H,2-5,8,11,20H2,1H3.
What are the key properties of [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine?
[2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine has a molecular weight of 289.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-1-benzofuran-2-yl)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 114735548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).