N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine

C16H16F2IN — CID 115859755

IUPACN-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2IN/c1-2-9-20-16(11-5-3-6-12(19)10-11)15-13(17)7-4-8-14(15)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyGSWXEFIDEYWRPB-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.66
Rot. Bonds5

About N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine

N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine (PubChem CID 115859755) has the molecular formula C16H16F2IN and a molecular weight of 387.21 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
PubChem CID115859755
Molecular FormulaC16H16F2IN
Molecular Weight387.21 g/mol
Exact Mass387.03
IUPAC NameN-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(I)c1)c1c(F)cccc1F
InChIInChI=1S/C16H16F2IN/c1-2-9-20-16(11-5-3-6-12(19)10-11)15-13(17)7-4-8-14(15)18/h3-8,10,16,20H,2,9H2,1H3
InChIKeyGSWXEFIDEYWRPB-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,6-difluorophenyl)-(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-[(2,6-difluoro-3-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 105027074
N-[(3,4-dimethylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 43493977
N-[(3,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 115859906
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
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-[(4-bromo-3-chloro-2-fluorophenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 106764355
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 114558952
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine (CID 115859755) is N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine is CCCNC(c1cccc(I)c1)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine?
The InChIKey is GSWXEFIDEYWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2IN/c1-2-9-20-16(11-5-3-6-12(19)10-11)15-13(17)7-4-8-14(15)18/h3-8,10,16,20H,2,9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine?
N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine has a molecular weight of 387.21 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(3-iodophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115859755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).