4-(2-fluorophenoxy)-N-propylbutan-1-amine

C13H20FNO — CID 62452469

IUPAC4-(2-fluorophenoxy)-N-propylbutan-1-amine
SMILESCCCNCCCCOc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-2-9-15-10-5-6-11-16-13-8-4-3-7-12(13)14/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyIMBDCZRMJNUJKC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.98
Rot. Bonds8

About 4-(2-fluorophenoxy)-N-propylbutan-1-amine

4-(2-fluorophenoxy)-N-propylbutan-1-amine (PubChem CID 62452469) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-propylbutan-1-amine
PubChem CID62452469
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(2-fluorophenoxy)-N-propylbutan-1-amine
SMILESCCCNCCCCOc1ccccc1F
InChIInChI=1S/C13H20FNO/c1-2-9-15-10-5-6-11-16-13-8-4-3-7-12(13)14/h3-4,7-8,15H,2,5-6,9-11H2,1H3
InChIKeyIMBDCZRMJNUJKC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.98
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

N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 60689845
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
3-(2-methylphenoxy)-N-propylpropan-1-amine
CID 29015661
4-(2-bromo-4-fluorophenoxy)-N-propylbutan-1-amine
CID 62450934
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
5-(2-chloro-4-fluorophenoxy)-N-propylpentan-1-amine
CID 62451912
3-(2-fluorophenoxy)-2-methyl-N-propylpropan-1-amine
CID 62453534

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-propylbutan-1-amine?
The IUPAC name of 4-(2-fluorophenoxy)-N-propylbutan-1-amine (CID 62452469) is 4-(2-fluorophenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-N-propylbutan-1-amine is CCCNCCCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)-N-propylbutan-1-amine?
The InChIKey is IMBDCZRMJNUJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-2-9-15-10-5-6-11-16-13-8-4-3-7-12(13)14/h3-4,7-8,15H,2,5-6,9-11H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)-N-propylbutan-1-amine?
4-(2-fluorophenoxy)-N-propylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 62452469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).