N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine

C17H19FIN — CID 115852372

IUPACN-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19FIN/c1-3-9-20-17(13-5-4-6-15(19)11-13)16-8-7-14(18)10-12(16)2/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyWOVXUTFRZNVDSI-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.83
Rot. Bonds5

About N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine

N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine (PubChem CID 115852372) has the molecular formula C17H19FIN and a molecular weight of 383.25 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
PubChem CID115852372
Molecular FormulaC17H19FIN
Molecular Weight383.25 g/mol
Exact Mass383.05
IUPAC NameN-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19FIN/c1-3-9-20-17(13-5-4-6-15(19)11-13)16-8-7-14(18)10-12(16)2/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyWOVXUTFRZNVDSI-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine 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-[(3-iodophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794712
N-[(5-fluoro-2-methoxyphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43497130
N-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[2-(4-fluoro-2-methylphenyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105051020
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115859755
N-[(4-bromo-3-chloro-2-fluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 106764355
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine (CID 115852372) is N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)c1ccc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine?
The InChIKey is WOVXUTFRZNVDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FIN/c1-3-9-20-17(13-5-4-6-15(19)11-13)16-8-7-14(18)10-12(16)2/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine?
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine has a molecular weight of 383.25 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115852372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).