6-(4-fluorophenyl)-N-propylhexan-1-amine

C15H24FN — CID 65308488

IUPAC6-(4-fluorophenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-2-12-17-13-6-4-3-5-7-14-8-10-15(16)11-9-14/h8-11,17H,2-7,12-13H2,1H3
InChIKeyIKYWCNGXJUMYLZ-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.93
Rot. Bonds9

About 6-(4-fluorophenyl)-N-propylhexan-1-amine

6-(4-fluorophenyl)-N-propylhexan-1-amine (PubChem CID 65308488) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-propylhexan-1-amine
PubChem CID65308488
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name6-(4-fluorophenyl)-N-propylhexan-1-amine
SMILESCCCNCCCCCCc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-2-12-17-13-6-4-3-5-7-14-8-10-15(16)11-9-14/h8-11,17H,2-7,12-13H2,1H3
InChIKeyIKYWCNGXJUMYLZ-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.93
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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Related Compounds

5-(4-fluorophenyl)-N-propylpentan-1-amine
CID 65300450
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-tert-butyl-6-(4-fluorophenyl)hexan-1-amine
CID 65308639
N-ethyl-4-(4-propylphenyl)butan-1-amine
CID 65305630
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-propylhexan-1-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-propylhexan-1-amine (CID 65308488) is 6-(4-fluorophenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-propylhexan-1-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-propylhexan-1-amine is CCCNCCCCCCc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-propylhexan-1-amine?
The InChIKey is IKYWCNGXJUMYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-2-12-17-13-6-4-3-5-7-14-8-10-15(16)11-9-14/h8-11,17H,2-7,12-13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-N-propylhexan-1-amine?
6-(4-fluorophenyl)-N-propylhexan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 65308488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).