N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine

C11H15FIN — CID 90022808

IUPACN-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(I)cc1F
InChIInChI=1S/C11H15FIN/c1-3-14(4-2)8-9-5-6-10(13)7-11(9)12/h5-7H,3-4,8H2,1-2H3
InChIKeyUAVHDFGFVSWSAN-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.27
Rot. Bonds4

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

N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine (PubChem CID 90022808) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine
PubChem CID90022808
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC NameN-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine
SMILESCCN(CC)Cc1ccc(I)cc1F
InChIInChI=1S/C11H15FIN/c1-3-14(4-2)8-9-5-6-10(13)7-11(9)12/h5-7H,3-4,8H2,1-2H3
InChIKeyUAVHDFGFVSWSAN-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine (CID 90022808) is N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine is CCN(CC)Cc1ccc(I)cc1F.
What is the InChIKey of N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine?
The InChIKey is UAVHDFGFVSWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c1-3-14(4-2)8-9-5-6-10(13)7-11(9)12/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine?
N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine has a molecular weight of 307.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-fluoro-4-iodophenyl)methyl]ethanamine is sourced from PubChem (CID 90022808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).