1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine

C14H12F2IN — CID 43484544

IUPAC1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2IN/c1-18-14(9-3-2-4-11(17)7-9)10-5-6-12(15)13(16)8-10/h2-8,14,18H,1H3
InChIKeyDCVSEQPWNSMDFB-UHFFFAOYSA-N
MW359.16 g/mol
LogP3.88
Rot. Bonds3

About 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 43484544) has the molecular formula C14H12F2IN and a molecular weight of 359.16 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID43484544
Molecular FormulaC14H12F2IN
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F2IN/c1-18-14(9-3-2-4-11(17)7-9)10-5-6-12(15)13(16)8-10/h2-8,14,18H,1H3
InChIKeyDCVSEQPWNSMDFB-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine 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

1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483287
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 43484544) is 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is DCVSEQPWNSMDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2IN/c1-18-14(9-3-2-4-11(17)7-9)10-5-6-12(15)13(16)8-10/h2-8,14,18H,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 359.16 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 43484544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).