1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine

C15H24FNO3 — CID 104561982

IUPAC1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
SMILESCOCCOCCOCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-13(14-3-5-15(16)6-4-14)17-7-8-19-11-12-20-10-9-18-2/h3-6,13,17H,7-12H2,1-2H3
InChIKeyXQFXTCBEFNZGMB-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.16
Rot. Bonds11

About 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine

1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine (PubChem CID 104561982) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
PubChem CID104561982
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
SMILESCOCCOCCOCCNC(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-13(14-3-5-15(16)6-4-14)17-7-8-19-11-12-20-10-9-18-2/h3-6,13,17H,7-12H2,1-2H3
InChIKeyXQFXTCBEFNZGMB-UHFFFAOYSA-N
XLogP2.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
(1R)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 81357099
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
(1S)-N-[2-(3-methoxypropoxy)ethyl]-1-(4-methylphenyl)ethanamine
CID 103179242
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine (CID 104561982) is 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine is COCCOCCOCCNC(C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
The InChIKey is XQFXTCBEFNZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-13(14-3-5-15(16)6-4-14)17-7-8-19-11-12-20-10-9-18-2/h3-6,13,17H,7-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine?
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine has a molecular weight of 285.36 g/mol, XLogP of 2.16, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 104561982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).