N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine

C16H17FIN — CID 115852796

IUPACN-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ccccc1I
InChIInChI=1S/C16H17FIN/c1-3-19-16(12-6-4-5-7-15(12)18)13-10-11(2)8-9-14(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyVMRQBQKOWKIUME-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.44
Rot. Bonds4

About N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine

N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine (PubChem CID 115852796) has the molecular formula C16H17FIN and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
PubChem CID115852796
Molecular FormulaC16H17FIN
Molecular Weight369.22 g/mol
Exact Mass369.04
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1F)c1ccccc1I
InChIInChI=1S/C16H17FIN/c1-3-19-16(12-6-4-5-7-15(12)18)13-10-11(2)8-9-14(13)17/h4-10,16,19H,3H2,1-2H3
InChIKeyVMRQBQKOWKIUME-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.44
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-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
3-[ethylamino-(2-fluoro-5-methylphenyl)methyl]pyridin-2-amine
CID 107931759
N-[(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 107476394
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
(2-fluoro-5-methylphenyl)-(2-iodophenyl)methanol
CID 115794497
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(4-bromophenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62516024
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 62514109

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine (CID 115852796) is N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1F)c1ccccc1I.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine?
The InChIKey is VMRQBQKOWKIUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FIN/c1-3-19-16(12-6-4-5-7-15(12)18)13-10-11(2)8-9-14(13)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine?
N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine has a molecular weight of 369.22 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)-(2-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 115852796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).