N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H19FINO — CID 63552758

IUPACN-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1Oc1cccc(I)c1
InChIInChI=1S/C17H19FINO/c1-17(2,3)20-11-12-9-13(18)7-8-16(12)21-15-6-4-5-14(19)10-15/h4-10,20H,11H2,1-3H3
InChIKeyVEKKLKQYLTUSSC-UHFFFAOYSA-N
MW399.25 g/mol
LogP5.11
Rot. Bonds4

About N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63552758) has the molecular formula C17H19FINO and a molecular weight of 399.25 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63552758
Molecular FormulaC17H19FINO
Molecular Weight399.25 g/mol
Exact Mass399.05
IUPAC NameN-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(F)ccc1Oc1cccc(I)c1
InChIInChI=1S/C17H19FINO/c1-17(2,3)20-11-12-9-13(18)7-8-16(12)21-15-6-4-5-14(19)10-15/h4-10,20H,11H2,1-3H3
InChIKeyVEKKLKQYLTUSSC-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.25
LogP ≤ 55.11
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-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696513
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63552758) is N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(F)ccc1Oc1cccc(I)c1.
What is the InChIKey of N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is VEKKLKQYLTUSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FINO/c1-17(2,3)20-11-12-9-13(18)7-8-16(12)21-15-6-4-5-14(19)10-15/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 399.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63552758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).