5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine

C20H26FN — CID 143558185

IUPAC5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine
SMILESCC(CCCCN(C)C)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN/c1-16(8-6-7-15-22(2)3)19-9-4-5-10-20(19)17-11-13-18(21)14-12-17/h4-5,9-14,16H,6-8,15H2,1-3H3
InChIKeyUSTFECWFIDOPBO-UHFFFAOYSA-N
MW299.43 g/mol
LogP5.33
Rot. Bonds7

About 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine

5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine (PubChem CID 143558185) has the molecular formula C20H26FN and a molecular weight of 299.43 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine
PubChem CID143558185
Molecular FormulaC20H26FN
Molecular Weight299.43 g/mol
Exact Mass299.20
IUPAC Name5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine
SMILESCC(CCCCN(C)C)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN/c1-16(8-6-7-15-22(2)3)19-9-4-5-10-20(19)17-11-13-18(21)14-12-17/h4-5,9-14,16H,6-8,15H2,1-3H3
InChIKeyUSTFECWFIDOPBO-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
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-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine?
The IUPAC name of 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine (CID 143558185) is 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine?
The canonical SMILES for 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine is CC(CCCCN(C)C)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine?
The InChIKey is USTFECWFIDOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN/c1-16(8-6-7-15-22(2)3)19-9-4-5-10-20(19)17-11-13-18(21)14-12-17/h4-5,9-14,16H,6-8,15H2,1-3H3.
What are the key properties of 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine?
5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine has a molecular weight of 299.43 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)phenyl]-N,N-dimethylhexan-1-amine is sourced from PubChem (CID 143558185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).