4-(4-fluorophenoxy)butan-1-amine

C10H14FNO — CID 7131478

IUPAC4-(4-fluorophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeyQSHUIHTYAZHNNK-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.94
Rot. Bonds5

About 4-(4-fluorophenoxy)butan-1-amine

4-(4-fluorophenoxy)butan-1-amine (PubChem CID 7131478) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)butan-1-amine
PubChem CID7131478
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-(4-fluorophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeyQSHUIHTYAZHNNK-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)butan-1-amine?
The IUPAC name of 4-(4-fluorophenoxy)butan-1-amine (CID 7131478) is 4-(4-fluorophenoxy)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenoxy)butan-1-amine is NCCCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)butan-1-amine?
The InChIKey is QSHUIHTYAZHNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2.
What are the key properties of 4-(4-fluorophenoxy)butan-1-amine?
4-(4-fluorophenoxy)butan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)butan-1-amine is sourced from PubChem (CID 7131478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).