2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine

C15H22FN — CID 79339795

IUPAC2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H22FN/c1-4-9-17-11-14(12(2)3)10-13-7-5-6-8-15(13)16/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyQCUCYCXLPOQXFO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.86
Rot. Bonds6

About 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine

2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine (PubChem CID 79339795) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
PubChem CID79339795
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1F)C(C)C
InChIInChI=1S/C15H22FN/c1-4-9-17-11-14(12(2)3)10-13-7-5-6-8-15(13)16/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyQCUCYCXLPOQXFO-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.86
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 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine (CID 79339795) is 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine is CCCNCC(=Cc1ccccc1F)C(C)C.
What is the InChIKey of 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
The InChIKey is QCUCYCXLPOQXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-4-9-17-11-14(12(2)3)10-13-7-5-6-8-15(13)16/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine?
2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79339795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).