1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine

C16H17FIN — CID 65476281

IUPAC1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(I)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H17FIN/c1-19-16(10-12-5-7-15(18)8-6-12)11-13-3-2-4-14(17)9-13/h2-9,16,19H,10-11H2,1H3
InChIKeyINMIOIQPTCXSFM-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.80
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine

1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine (PubChem CID 65476281) has the molecular formula C16H17FIN and a molecular weight of 369.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
PubChem CID65476281
Molecular FormulaC16H17FIN
Molecular Weight369.22 g/mol
Exact Mass369.04
IUPAC Name1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(I)cc1)Cc1cccc(F)c1
InChIInChI=1S/C16H17FIN/c1-19-16(10-12-5-7-15(18)8-6-12)11-13-3-2-4-14(17)9-13/h2-9,16,19H,10-11H2,1H3
InChIKeyINMIOIQPTCXSFM-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.80
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

1-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 61481696
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242
1-(2-chloro-4-methylphenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 106867013
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
1-(3-fluorophenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62794811
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66072440
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine (CID 65476281) is 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(I)cc1)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
The InChIKey is INMIOIQPTCXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FIN/c1-19-16(10-12-5-7-15(18)8-6-12)11-13-3-2-4-14(17)9-13/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine?
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine has a molecular weight of 369.22 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 65476281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).