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N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine

C17H20FNO — CID 43285515

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11,13,19H,3,12H2,1-2H3
InChIKeyKKWWEPOGVCRXLZ-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.68
Rot. Bonds6

About N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine

N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine (PubChem CID 43285515) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
PubChem CID43285515
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C17H20FNO/c1-3-12-19-13(2)16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11,13,19H,3,12H2,1-2H3
InChIKeyKKWWEPOGVCRXLZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine (CID 43285515) is N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is KKWWEPOGVCRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-12-19-13(2)16-6-4-5-7-17(16)20-15-10-8-14(18)9-11-15/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43285515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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