1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine

C15H24FNO3 — CID 103401330

IUPAC1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
SMILESCOCCOCCCOC(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H24FNO3/c1-12(17)15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11-12,15H,4,7-10,17H2,1-2H3
InChIKeyVLVKIBAKOCJGIG-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.28
Rot. Bonds10

About 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine

1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine (PubChem CID 103401330) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
PubChem CID103401330
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
SMILESCOCCOCCCOC(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H24FNO3/c1-12(17)15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11-12,15H,4,7-10,17H2,1-2H3
InChIKeyVLVKIBAKOCJGIG-UHFFFAOYSA-N
XLogP2.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.28
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

1-[3-(2-methoxyethoxy)propoxy]-1-(3-methylphenyl)propan-2-amine
CID 103401421
1-(4-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401203
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-[2-(2-methoxyethoxy)ethoxy]-1-(3-methylphenyl)propan-2-amine
CID 104560177
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342
1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
2-(3-fluorophenyl)-4-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 104568651

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine (CID 103401330) is 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine is COCCOCCCOC(c1cccc(F)c1)C(C)N.
What is the InChIKey of 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine?
The InChIKey is VLVKIBAKOCJGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-12(17)15(13-5-3-6-14(16)11-13)20-8-4-7-19-10-9-18-2/h3,5-6,11-12,15H,4,7-10,17H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine?
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine has a molecular weight of 285.36 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine is sourced from PubChem (CID 103401330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).