3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline

C23H25IN2 — CID 139919434

IUPAC3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(c2ccccc2)(c2ccccc2)N(C)C)c1I
InChIInChI=1S/C23H25IN2/c1-25(2)21-17-11-16-20(22(21)24)23(26(3)4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3
InChIKeyOPODGFSTCYNVEU-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.21
Rot. Bonds5

About 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline

3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline (PubChem CID 139919434) has the molecular formula C23H25IN2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline
PubChem CID139919434
Molecular FormulaC23H25IN2
Molecular Weight456.37 g/mol
Exact Mass456.11
IUPAC Name3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(c2ccccc2)(c2ccccc2)N(C)C)c1I
InChIInChI=1S/C23H25IN2/c1-25(2)21-17-11-16-20(22(21)24)23(26(3)4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3
InChIKeyOPODGFSTCYNVEU-UHFFFAOYSA-N
XLogP5.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline?
The IUPAC name of 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline (CID 139919434) is 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline.
What is the SMILES notation for 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline?
The canonical SMILES for 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline is CN(C)c1cccc(C(c2ccccc2)(c2ccccc2)N(C)C)c1I.
What is the InChIKey of 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline?
The InChIKey is OPODGFSTCYNVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25IN2/c1-25(2)21-17-11-16-20(22(21)24)23(26(3)4,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,1-4H3.
What are the key properties of 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline?
3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline has a molecular weight of 456.37 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(diphenyl)methyl]-2-iodo-N,N-dimethylaniline is sourced from PubChem (CID 139919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).