3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline

C16H20IN3 — CID 105310254

IUPAC3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2ccc(I)cc2)NN)c1
InChIInChI=1S/C16H20IN3/c1-20(2)15-5-3-4-13(11-15)16(19-18)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,10,18H2,1-2H3
InChIKeyXFLPKBZPUBDDLU-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.10
Rot. Bonds5

About 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline

3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline (PubChem CID 105310254) has the molecular formula C16H20IN3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
PubChem CID105310254
Molecular FormulaC16H20IN3
Molecular Weight381.26 g/mol
Exact Mass381.07
IUPAC Name3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(Cc2ccc(I)cc2)NN)c1
InChIInChI=1S/C16H20IN3/c1-20(2)15-5-3-4-13(11-15)16(19-18)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,10,18H2,1-2H3
InChIKeyXFLPKBZPUBDDLU-UHFFFAOYSA-N
XLogP3.10
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-iodophenyl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105310242
[1-(3-ethoxyphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105191961
[2-(4-ethylphenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105287837
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
[2-(4-iodophenyl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105310368
[2-(4-bromophenyl)-1-(3-iodophenyl)ethyl]hydrazine
CID 105284349
3-(2-ethoxy-1-hydrazinylethyl)-N,N-dimethylaniline
CID 105321186
3-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylaniline
CID 105085030
[1-(2,6-dimethyl-4-pyridinyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 107505113
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
3-(1-hydrazinylheptyl)-N,N-dimethylaniline
CID 105293942
3-[2-(4-bromo-2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105335162

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline (CID 105310254) is 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline is CN(C)c1cccc(C(Cc2ccc(I)cc2)NN)c1.
What is the InChIKey of 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline?
The InChIKey is XFLPKBZPUBDDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3/c1-20(2)15-5-3-4-13(11-15)16(19-18)10-12-6-8-14(17)9-7-12/h3-9,11,16,19H,10,18H2,1-2H3.
What are the key properties of 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline?
3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline has a molecular weight of 381.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105310254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).