N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine

C17H19FINO — CID 115829862

IUPACN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1cccc(I)c1
InChIInChI=1S/C17H19FINO/c1-3-20-16(13-5-4-6-14(19)11-13)10-12-7-8-17(21-2)15(18)9-12/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyNCWKFQDCRAYTOI-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.33
Rot. Bonds6

About N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine (PubChem CID 115829862) has the molecular formula C17H19FINO and a molecular weight of 399.25 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
PubChem CID115829862
Molecular FormulaC17H19FINO
Molecular Weight399.25 g/mol
Exact Mass399.05
IUPAC NameN-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine
SMILESCCNC(Cc1ccc(OC)c(F)c1)c1cccc(I)c1
InChIInChI=1S/C17H19FINO/c1-3-20-16(13-5-4-6-14(19)11-13)10-12-7-8-17(21-2)15(18)9-12/h4-9,11,16,20H,3,10H2,1-2H3
InChIKeyNCWKFQDCRAYTOI-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-fluorophenyl)ethanamine
CID 62607725
N-ethyl-1-(3-iodophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826666
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
2-(3,4-dichlorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 63528155
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105122565
1-(2-chlorophenyl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62604347
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105015717
N-ethyl-1-(5-ethylfuran-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829659
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-ethyl-1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864765
1-(3-bromothiophen-2-yl)-N-ethyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829741
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-phenylethanamine
CID 81284854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine (CID 115829862) is N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine is CCNC(Cc1ccc(OC)c(F)c1)c1cccc(I)c1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine?
The InChIKey is NCWKFQDCRAYTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FINO/c1-3-20-16(13-5-4-6-14(19)11-13)10-12-7-8-17(21-2)15(18)9-12/h4-9,11,16,20H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine?
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine has a molecular weight of 399.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(3-iodophenyl)ethanamine is sourced from PubChem (CID 115829862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).