5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine

C16H24FN — CID 154969605

IUPAC5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
SMILESC=C(CC)c1cc(F)ccc1CCCCCNC
InChIInChI=1S/C16H24FN/c1-4-13(2)16-12-15(17)10-9-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3
InChIKeyWTPHHPPEIHMENT-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.18
Rot. Bonds8

About 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine

5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine (PubChem CID 154969605) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
PubChem CID154969605
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine
SMILESC=C(CC)c1cc(F)ccc1CCCCCNC
InChIInChI=1S/C16H24FN/c1-4-13(2)16-12-15(17)10-9-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3
InChIKeyWTPHHPPEIHMENT-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine?
The IUPAC name of 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine (CID 154969605) is 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine?
The canonical SMILES for 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine is C=C(CC)c1cc(F)ccc1CCCCCNC.
What is the InChIKey of 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine?
The InChIKey is WTPHHPPEIHMENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-13(2)16-12-15(17)10-9-14(16)8-6-5-7-11-18-3/h9-10,12,18H,2,4-8,11H2,1,3H3.
What are the key properties of 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine?
5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-1-en-2-yl-4-fluorophenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 154969605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).