1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine

C24H43FN2 — CID 11740413

IUPAC1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine
SMILESCCCCCCCCCCCCCCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C24H43FN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-21-14-15-24(26)22-16-18-23(25)19-17-22/h16-19,24,27H,2-15,20-21,26H2,1H3
InChIKeyVMXWHLVQHRJMFD-UHFFFAOYSA-N
MW378.62 g/mol
LogP6.90
Rot. Bonds18

About 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine

1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine (PubChem CID 11740413) has the molecular formula C24H43FN2 and a molecular weight of 378.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine
PubChem CID11740413
Molecular FormulaC24H43FN2
Molecular Weight378.62 g/mol
Exact Mass378.34
IUPAC Name1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine
SMILESCCCCCCCCCCCCCCNCCCC(N)c1ccc(F)cc1
InChIInChI=1S/C24H43FN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-21-14-15-24(26)22-16-18-23(25)19-17-22/h16-19,24,27H,2-15,20-21,26H2,1H3
InChIKeyVMXWHLVQHRJMFD-UHFFFAOYSA-N
XLogP6.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.62
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine (CID 11740413) is 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine is CCCCCCCCCCCCCCNCCCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine?
The InChIKey is VMXWHLVQHRJMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43FN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-21-14-15-24(26)22-16-18-23(25)19-17-22/h16-19,24,27H,2-15,20-21,26H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine?
1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine has a molecular weight of 378.62 g/mol, XLogP of 6.90, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-tetradecylbutane-1,4-diamine is sourced from PubChem (CID 11740413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).