2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine

C14H15FINOS — CID 105035474

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1csc(I)c1
InChIInChI=1S/C14H15FINOS/c1-17-11(10-7-13(16)19-8-10)6-9-4-3-5-12(18-2)14(9)15/h3-5,7-8,11,17H,6H2,1-2H3
InChIKeyUOIJPRXNMQWMNA-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.00
Rot. Bonds5

About 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine (PubChem CID 105035474) has the molecular formula C14H15FINOS and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
PubChem CID105035474
Molecular FormulaC14H15FINOS
Molecular Weight391.25 g/mol
Exact Mass390.99
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(OC)c1F)c1csc(I)c1
InChIInChI=1S/C14H15FINOS/c1-17-11(10-7-13(16)19-8-10)6-9-4-3-5-12(18-2)14(9)15/h3-5,7-8,11,17H,6H2,1-2H3
InChIKeyUOIJPRXNMQWMNA-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
2-(4-fluoro-2-methylphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 105050997
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 104793741
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 105035509
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247
1-(3-chloro-5-methylphenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035700
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
[(2-fluoro-3-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]hydrazine
CID 105329391
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959
N-[2-(3-chloro-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]propan-1-amine
CID 102866714
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine (CID 105035474) is 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine is CNC(Cc1cccc(OC)c1F)c1csc(I)c1.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
The InChIKey is UOIJPRXNMQWMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FINOS/c1-17-11(10-7-13(16)19-8-10)6-9-4-3-5-12(18-2)14(9)15/h3-5,7-8,11,17H,6H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine has a molecular weight of 391.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 105035474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).