1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

C16H17FINO — CID 81305355

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17FINO/c1-19-16(9-11-3-5-12(18)6-4-11)14-8-7-13(20-2)10-15(14)17/h3-8,10,16,19H,9H2,1-2H3
InChIKeyZGHUAZDLZHKUKQ-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.94
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine

1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (PubChem CID 81305355) has the molecular formula C16H17FINO and a molecular weight of 385.22 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
PubChem CID81305355
Molecular FormulaC16H17FINO
Molecular Weight385.22 g/mol
Exact Mass385.03
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(I)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C16H17FINO/c1-19-16(9-11-3-5-12(18)6-4-11)14-8-7-13(20-2)10-15(14)17/h3-8,10,16,19H,9H2,1-2H3
InChIKeyZGHUAZDLZHKUKQ-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936
1-(2,5-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864340
1-(4-bromo-2-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 114906381
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43561417
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
4-[2-(ethylamino)-2-(2-fluoro-4-methoxyphenyl)ethyl]phenol
CID 81301341
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine (CID 81305355) is 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is CNC(Cc1ccc(I)cc1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
The InChIKey is ZGHUAZDLZHKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINO/c1-19-16(9-11-3-5-12(18)6-4-11)14-8-7-13(20-2)10-15(14)17/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine?
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine has a molecular weight of 385.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine is sourced from PubChem (CID 81305355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).