N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine

C15H14F2INO — CID 63550530

IUPACN-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2cccc(I)c2)c(F)c1
InChIInChI=1S/C15H14F2INO/c1-2-19-9-10-6-13(16)15(14(17)7-10)20-12-5-3-4-11(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyUJVPKWPSOZXKPP-UHFFFAOYSA-N
MW389.18 g/mol
LogP4.47
Rot. Bonds5

About N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine (PubChem CID 63550530) has the molecular formula C15H14F2INO and a molecular weight of 389.18 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
PubChem CID63550530
Molecular FormulaC15H14F2INO
Molecular Weight389.18 g/mol
Exact Mass389.01
IUPAC NameN-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2cccc(I)c2)c(F)c1
InChIInChI=1S/C15H14F2INO/c1-2-19-9-10-6-13(16)15(14(17)7-10)20-12-5-3-4-11(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyUJVPKWPSOZXKPP-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.18
LogP ≤ 54.47
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-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63075624
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
N-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552720
1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
CID 63076148
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[[3-bromo-4-[(3-iodophenoxy)methyl]phenyl]methyl]ethanamine
CID 102773297
(1R)-1-[3-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 114059300
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine (CID 63550530) is N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)c(Oc2cccc(I)c2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The InChIKey is UJVPKWPSOZXKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2INO/c1-2-19-9-10-6-13(16)15(14(17)7-10)20-12-5-3-4-11(18)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine has a molecular weight of 389.18 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63550530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).