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

C15H15FINO — CID 43561417

IUPAC1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C15H15FINO/c1-18-15(10-3-5-11(17)6-4-10)13-8-7-12(19-2)9-14(13)16/h3-9,15,18H,1-2H3
InChIKeyHZVQFQHSMYTZQS-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.75
Rot. Bonds4

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

1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine (PubChem CID 43561417) has the molecular formula C15H15FINO and a molecular weight of 371.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
PubChem CID43561417
Molecular FormulaC15H15FINO
Molecular Weight371.19 g/mol
Exact Mass371.02
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(I)cc1)c1ccc(OC)cc1F
InChIInChI=1S/C15H15FINO/c1-18-15(10-3-5-11(17)6-4-10)13-8-7-12(19-2)9-14(13)16/h3-9,15,18H,1-2H3
InChIKeyHZVQFQHSMYTZQS-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.75
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

1-(2-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288450
1-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561405
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(3-bromo-5-methylphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 104851250
[(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397533
1-(2-fluoro-4-methoxyphenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43561402
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 114659101
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine (CID 43561417) is 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine is CNC(c1ccc(I)cc1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
The InChIKey is HZVQFQHSMYTZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO/c1-18-15(10-3-5-11(17)6-4-10)13-8-7-12(19-2)9-14(13)16/h3-9,15,18H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine?
1-(2-fluoro-4-methoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine has a molecular weight of 371.19 g/mol, XLogP of 3.75, 4 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)-1-(4-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43561417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).