2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine

C15H15FIN — CID 112566336

IUPAC2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
SMILESNCC(F)(Cc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H15FIN/c16-15(11-18,13-4-2-1-3-5-13)10-12-6-8-14(17)9-7-12/h1-9H,10-11,18H2
InChIKeyWXTTWTFZGHYUMN-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.66
Rot. Bonds4

About 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine

2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine (PubChem CID 112566336) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
PubChem CID112566336
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC Name2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine
SMILESNCC(F)(Cc1ccc(I)cc1)c1ccccc1
InChIInChI=1S/C15H15FIN/c16-15(11-18,13-4-2-1-3-5-13)10-12-6-8-14(17)9-7-12/h1-9H,10-11,18H2
InChIKeyWXTTWTFZGHYUMN-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2-fluoro-3-naphthalen-1-yl-2-phenylpropan-1-amine
CID 115918085
3-(2,6-dimethylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 112566259
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
1-(4-iodophenyl)-2-phenylpentan-2-amine
CID 65476853
2-fluoro-2-[(4-iodophenyl)methyl]-3-methylbutan-1-amine
CID 112566939
2-fluoro-2-phenylpent-4-yn-1-amine
CID 112566289
3-(2-chloro-4-methylphenyl)-2-fluoro-2-phenylpropan-1-amine
CID 106871130
3-benzyl-3,4,4,4-tetrafluorobutan-1-amine
CID 115040640
1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
CID 66037217
2-fluoro-2-phenyldodecan-1-amine
CID 115918070
3-cyclopentyl-2-fluoro-2-phenylpropan-1-amine
CID 112566200

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine (CID 112566336) is 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine is NCC(F)(Cc1ccc(I)cc1)c1ccccc1.
What is the InChIKey of 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine?
The InChIKey is WXTTWTFZGHYUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c16-15(11-18,13-4-2-1-3-5-13)10-12-6-8-14(17)9-7-12/h1-9H,10-11,18H2.
What are the key properties of 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine?
2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine has a molecular weight of 355.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(4-iodophenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 112566336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).