1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine

C15H24FNO — CID 105088079

IUPAC1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-10-17-15(9-12-18-11-4-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyIOGWPDAREPZOSQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds9

About 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine

1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine (PubChem CID 105088079) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
PubChem CID105088079
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-3-10-17-15(9-12-18-11-4-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyIOGWPDAREPZOSQ-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-ylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105144826
1-(4-ethoxyphenyl)-3-propoxy-N-propylpropan-1-amine
CID 105140802
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(3-chloro-4-methylphenyl)-3-propoxy-N-propylpropan-1-amine
CID 107561908
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
1-(4-propoxyphenyl)-N-propylbutan-1-amine
CID 55120619
1-(4-fluorophenyl)-N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 63484521
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
N-[bis(4-fluorophenyl)methyl]propan-1-amine
CID 43389379
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine (CID 105088079) is 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine is CCCNC(CCOCCC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine?
The InChIKey is IOGWPDAREPZOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-10-17-15(9-12-18-11-4-2)13-5-7-14(16)8-6-13/h5-8,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine?
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine is sourced from PubChem (CID 105088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).