N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine

C11H15FN2 — CID 77110886

IUPACN'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine
SMILESCN(CC=CCN)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h2-7H,8-9,13H2,1H3
InChIKeyKNYHDCRAFDFTRY-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.78
Rot. Bonds4

About N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine

N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine (PubChem CID 77110886) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine
PubChem CID77110886
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC NameN'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine
SMILESCN(CC=CCN)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h2-7H,8-9,13H2,1H3
InChIKeyKNYHDCRAFDFTRY-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine (CID 77110886) is N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine is CN(CC=CCN)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine?
The InChIKey is KNYHDCRAFDFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h2-7H,8-9,13H2,1H3.
What are the key properties of N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine?
N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine has a molecular weight of 194.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-methylbut-2-ene-1,4-diamine is sourced from PubChem (CID 77110886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).