3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine

C16H17FINO — CID 164613837

IUPAC3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccc(I)cc1F)c1ccccc1
InChIInChI=1S/C16H17FINO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-8-7-13(18)11-14(16)17/h2-8,11,15,19H,9-10H2,1H3
InChIKeyISRGNMDUTGDZIX-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.16
Rot. Bonds6

About 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine

3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 164613837) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID164613837
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1ccc(I)cc1F)c1ccccc1
InChIInChI=1S/C16H17FINO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-8-7-13(18)11-14(16)17/h2-8,11,15,19H,9-10H2,1H3
InChIKeyISRGNMDUTGDZIX-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.16
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

(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
N-methyl-3-phenyl-3-(2,3,5-trifluoro-4-methylphenoxy)propan-1-amine
CID 87730579
(3R)-3-(2-iodo-4-methylphenoxy)-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 45262226
3-[(7-fluoro-1-benzothiophen-4-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 22171132
3-[(2-iodo-3-pyridinyl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 25125568
(3R)-3-(4-iodo-2-methylphenoxy)-3-phenylpropan-1-amine
CID 14950285
3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 22489955
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
(3R)-3-[(5-fluoro-1-benzothiophen-7-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 58630752
3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine
CID 19102986
(3R)-N-methyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine
CID 11175584
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine (CID 164613837) is 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine is CNCCC(Oc1ccc(I)cc1F)c1ccccc1.
What is the InChIKey of 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is ISRGNMDUTGDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-8-7-13(18)11-14(16)17/h2-8,11,15,19H,9-10H2,1H3.
What are the key properties of 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine?
3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 385.22 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 164613837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).