1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine

C15H15FINO — CID 55015269

IUPAC1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(I)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15FINO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyTVXNNEMWACYOJS-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine

1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine (PubChem CID 55015269) has the molecular formula C15H15FINO and a molecular weight of 371.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
PubChem CID55015269
Molecular FormulaC15H15FINO
Molecular Weight371.19 g/mol
Exact Mass371.02
IUPAC Name1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine
SMILESCC(N)C(Oc1cccc(I)c1)c1ccc(F)cc1
InChIInChI=1S/C15H15FINO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3
InChIKeyTVXNNEMWACYOJS-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 55014732
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
1-(4-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55015652
1-(2,3-difluorophenoxy)-1-(4-fluorophenyl)propan-2-amine
CID 63037095
1-(3-ethoxyphenoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62338448
1-(3-methylphenoxy)-1-(3-methylphenyl)propan-2-amine
CID 55020131
1-(3-ethoxyphenoxy)-1-(4-methylphenyl)propan-2-amine
CID 62337452
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
1-(2-bromophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55023034

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine (CID 55015269) is 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine is CC(N)C(Oc1cccc(I)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine?
The InChIKey is TVXNNEMWACYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO/c1-10(18)15(11-5-7-12(16)8-6-11)19-14-4-2-3-13(17)9-14/h2-10,15H,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine?
1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine has a molecular weight of 371.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(3-iodophenoxy)propan-2-amine is sourced from PubChem (CID 55015269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).