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

C12H18FN — CID 46906452

IUPAC3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyWLGHQCGJGPPHAQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.76
Rot. Bonds6

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

3-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 46906452) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID46906452
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCNCCCc1ccc(F)cc1
InChIInChI=1S/C12H18FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3
InChIKeyWLGHQCGJGPPHAQ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-propylpropan-1-amine (CID 46906452) is 3-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-propylpropan-1-amine is CCCNCCCc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is WLGHQCGJGPPHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-2-9-14-10-3-4-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-propylpropan-1-amine?
3-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 46906452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).