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

C15H15FIN — CID 79440307

IUPAC2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
SMILESNCC(Cc1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FIN/c16-14-3-1-2-12(9-14)13(10-18)8-11-4-6-15(17)7-5-11/h1-7,9,13H,8,10,18H2
InChIKeyZXPADOMMFGWTEE-UHFFFAOYSA-N
MW355.19 g/mol
LogP3.72
Rot. Bonds4

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

2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine (PubChem CID 79440307) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
PubChem CID79440307
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC Name2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine
SMILESNCC(Cc1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C15H15FIN/c16-14-3-1-2-12(9-14)13(10-18)8-11-4-6-15(17)7-5-11/h1-7,9,13H,8,10,18H2
InChIKeyZXPADOMMFGWTEE-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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

3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
3-(4-chloro-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 114858839
2-(3-fluorophenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propan-1-amine
CID 83975700
3-(5-bromo-2-fluorophenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440610
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65479163
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine (CID 79440307) is 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine is NCC(Cc1ccc(I)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine?
The InChIKey is ZXPADOMMFGWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c16-14-3-1-2-12(9-14)13(10-18)8-11-4-6-15(17)7-5-11/h1-7,9,13H,8,10,18H2.
What are the key properties of 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine?
2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine has a molecular weight of 355.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-iodophenyl)propan-1-amine is sourced from PubChem (CID 79440307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).