1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine

C15H15FINO — CID 43485651

IUPAC1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1I)c1cc(F)ccc1OC
InChIInChI=1S/C15H15FINO/c1-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19-2/h3-9,15,18H,1-2H3
InChIKeyKBHXPTLZHYXUJR-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.75
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine

1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine (PubChem CID 43485651) has the molecular formula C15H15FINO and a molecular weight of 371.19 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
PubChem CID43485651
Molecular FormulaC15H15FINO
Molecular Weight371.19 g/mol
Exact Mass371.02
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1I)c1cc(F)ccc1OC
InChIInChI=1S/C15H15FINO/c1-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19-2/h3-9,15,18H,1-2H3
InChIKeyKBHXPTLZHYXUJR-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-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 82769619
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013
1-(2,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485698
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 82808536
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine (CID 43485651) is 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine is CNC(c1ccccc1I)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
The InChIKey is KBHXPTLZHYXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO/c1-18-15(11-5-3-4-6-13(11)17)12-9-10(16)7-8-14(12)19-2/h3-9,15,18H,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine?
1-(5-fluoro-2-methoxyphenyl)-1-(2-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-(5-fluoro-2-methoxyphenyl)-1-(2-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43485651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).