N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine

C16H17FINO — CID 43283656

IUPACN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C16H17FINO/c1-11(2)19-10-12-3-8-16(15(17)9-12)20-14-6-4-13(18)5-7-14/h3-9,11,19H,10H2,1-2H3
InChIKeyIACVPESHFOZDAN-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.72
Rot. Bonds5

About N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43283656) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43283656
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC NameN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C16H17FINO/c1-11(2)19-10-12-3-8-16(15(17)9-12)20-14-6-4-13(18)5-7-14/h3-9,11,19H,10H2,1-2H3
InChIKeyIACVPESHFOZDAN-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.72
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

N-[(3-fluoro-4-phenoxyphenyl)methyl]propan-2-amine
CID 43283192
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316
N-[[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 65200944
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
N-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl]propan-2-amine
CID 103615857

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine (CID 43283656) is N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccc(I)cc2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is IACVPESHFOZDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c1-11(2)19-10-12-3-8-16(15(17)9-12)20-14-6-4-13(18)5-7-14/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 385.22 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43283656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).