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

C15H24FNO2 — CID 107717881

IUPACN-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC(C)OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-8-17-12(3)14-7-6-13(9-15(14)16)19-10-11(2)18-4/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyPUCNDXKHJFGITO-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.30
Rot. Bonds8

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

N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine (PubChem CID 107717881) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
PubChem CID107717881
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC NameN-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC(C)OC)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-8-17-12(3)14-7-6-13(9-15(14)16)19-10-11(2)18-4/h6-7,9,11-12,17H,5,8,10H2,1-4H3
InChIKeyPUCNDXKHJFGITO-UHFFFAOYSA-N
XLogP3.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
CID 107717911
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
N-[1-(2-fluoro-4-pent-3-ynoxyphenyl)ethyl]propan-1-amine
CID 107717623
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
N-[1-[2-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]ethyl]propan-1-amine
CID 107717703
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983
N'-butan-2-yl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 103780751
N'-[1-(2-fluoro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 60894649

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine (CID 107717881) is N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCC(C)OC)cc1F.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is PUCNDXKHJFGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-8-17-12(3)14-7-6-13(9-15(14)16)19-10-11(2)18-4/h6-7,9,11-12,17H,5,8,10H2,1-4H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine?
N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 107717881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).