1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine

C15H14F2IN — CID 107515336

IUPAC1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H14F2IN/c1-9-6-7-12(14(17)13(9)16)15(19-2)10-4-3-5-11(18)8-10/h3-8,15,19H,1-2H3
InChIKeyDAAZTDCNXUVALQ-UHFFFAOYSA-N
MW373.18 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine

1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine (PubChem CID 107515336) has the molecular formula C15H14F2IN and a molecular weight of 373.18 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
PubChem CID107515336
Molecular FormulaC15H14F2IN
Molecular Weight373.18 g/mol
Exact Mass373.01
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H14F2IN/c1-9-6-7-12(14(17)13(9)16)15(19-2)10-4-3-5-11(18)8-10/h3-8,15,19H,1-2H3
InChIKeyDAAZTDCNXUVALQ-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-3,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 65299098
1-(2,5-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483766
1-(2,3-dimethylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 115850509
1-(2-chloro-4,5-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107476154
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
1-(2,4-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43483638

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine (CID 107515336) is 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine is CNC(c1cccc(I)c1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
The InChIKey is DAAZTDCNXUVALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2IN/c1-9-6-7-12(14(17)13(9)16)15(19-2)10-4-3-5-11(18)8-10/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine?
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine has a molecular weight of 373.18 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine is sourced from PubChem (CID 107515336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).