N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H19FINO — CID 63553316

IUPACN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C17H19FINO/c1-12(2)10-20-11-13-3-8-17(16(18)9-13)21-15-6-4-14(19)5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyBXGKAZXCTXKQFY-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.97
Rot. Bonds6

About N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63553316) has the molecular formula C17H19FINO and a molecular weight of 399.25 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63553316
Molecular FormulaC17H19FINO
Molecular Weight399.25 g/mol
Exact Mass399.05
IUPAC NameN-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(I)cc2)c(F)c1
InChIInChI=1S/C17H19FINO/c1-12(2)10-20-11-13-3-8-17(16(18)9-13)21-15-6-4-14(19)5-7-15/h3-9,12,20H,10-11H2,1-2H3
InChIKeyBXGKAZXCTXKQFY-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.97
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-(4-iodophenoxy)phenyl]methyl]propan-2-amine
CID 43283656
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63551446
N-[[3-fluoro-4-(2-fluoroethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107689008
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[[3-fluoro-4-(3-methoxypropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688715
N-[[4-(3-iodophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552944
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[[4-(2-ethoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107688883
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107688798

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63553316) is N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2ccc(I)cc2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BXGKAZXCTXKQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FINO/c1-12(2)10-20-11-13-3-8-17(16(18)9-13)21-15-6-4-14(19)5-7-15/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 399.25 g/mol, XLogP of 4.97, 6 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]-2-methylpropan-1-amine is sourced from PubChem (CID 63553316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).