N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine

C16H26FNO2 — CID 63685288

IUPACN-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCCC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-4-8-18-13(3)14-6-7-16(15(17)12-14)20-11-10-19-9-5-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyPREGXBFHXZXQLG-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.69
Rot. Bonds10

About N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 63685288) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
PubChem CID63685288
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC NameN-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCCOCCC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-4-8-18-13(3)14-6-7-16(15(17)12-14)20-11-10-19-9-5-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3
InChIKeyPREGXBFHXZXQLG-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.69
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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Related Compounds

N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
3-[[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]methyl]pentan-3-ol
CID 114492396
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
1-[2-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114492395
N-[1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285404
N-[(1R)-1-(4-ethoxy-3-fluorophenyl)ethyl]pentan-1-amine
CID 29064082
N-[(1S)-1-(4-ethoxy-3-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 28702275
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine (CID 63685288) is N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCCOCCC)c(F)c1.
What is the InChIKey of N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is PREGXBFHXZXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-8-18-13(3)14-6-7-16(15(17)12-14)20-11-10-19-9-5-2/h6-7,12-13,18H,4-5,8-11H2,1-3H3.
What are the key properties of N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(2-propoxyethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63685288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).