N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine

C14H22FNO2 — CID 2280962

IUPACN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-3-8-16-9-10-17-11-12-18-14-6-4-13(15)5-7-14/h4-7,16H,2-3,8-12H2,1H3
InChIKeyLGBHWBHZYZRPRY-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.61
Rot. Bonds10

About N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine

N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine (PubChem CID 2280962) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine
PubChem CID2280962
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine
SMILESCCCCNCCOCCOc1ccc(F)cc1
InChIInChI=1S/C14H22FNO2/c1-2-3-8-16-9-10-17-11-12-18-14-6-4-13(15)5-7-14/h4-7,16H,2-3,8-12H2,1H3
InChIKeyLGBHWBHZYZRPRY-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine?
The IUPAC name of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine (CID 2280962) is N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine?
The canonical SMILES for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine is CCCCNCCOCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine?
The InChIKey is LGBHWBHZYZRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-2-3-8-16-9-10-17-11-12-18-14-6-4-13(15)5-7-14/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine?
N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 2280962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).