N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine

C16H24FNO2 — CID 62107691

IUPACN-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-9-18-12-16(13-3-5-14(17)6-4-13)20-15-7-10-19-11-8-15/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyHGJUNZKKTSJZDA-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.06
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine

N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine (PubChem CID 62107691) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
PubChem CID62107691
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-2-9-18-12-16(13-3-5-14(17)6-4-13)20-15-7-10-19-11-8-15/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyHGJUNZKKTSJZDA-UHFFFAOYSA-N
XLogP3.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.06
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-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine (CID 62107691) is N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine is CCCNCC(OC1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
The InChIKey is HGJUNZKKTSJZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-9-18-12-16(13-3-5-14(17)6-4-13)20-15-7-10-19-11-8-15/h3-6,15-16,18H,2,7-12H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine?
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine has a molecular weight of 281.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 62107691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).