N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine

C15H15FIN — CID 43488835

IUPACN-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccccc1I
InChIInChI=1S/C15H15FIN/c1-2-18-15(11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyJNROQUBAFNYTHB-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.13
Rot. Bonds4

About N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine

N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 43488835) has the molecular formula C15H15FIN and a molecular weight of 355.19 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID43488835
Molecular FormulaC15H15FIN
Molecular Weight355.19 g/mol
Exact Mass355.02
IUPAC NameN-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccccc1I
InChIInChI=1S/C15H15FIN/c1-2-18-15(11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,15,18H,2H2,1H3
InChIKeyJNROQUBAFNYTHB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
N-[(2-iodophenyl)-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489761
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(2-iodophenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 43495083
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
CID 115852796
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[(4-ethylsulfanylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 106849127
N-[(2,6-dichlorophenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488909
N-[(2,5-dimethylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43488838
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222518

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine (CID 43488835) is N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccccc1I.
What is the InChIKey of N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is JNROQUBAFNYTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN/c1-2-18-15(11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 355.19 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 43488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).