[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine

C18H23IN2 — CID 105310370

IUPAC[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(C(Cc2ccc(I)cc2)NN)cc1
InChIInChI=1S/C18H23IN2/c1-18(2,3)15-8-6-14(7-9-15)17(21-20)12-13-4-10-16(19)11-5-13/h4-11,17,21H,12,20H2,1-3H3
InChIKeyQRGQYXGYRWCOIW-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.34
Rot. Bonds4

About [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine

[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine (PubChem CID 105310370) has the molecular formula C18H23IN2 and a molecular weight of 394.30 g/mol. Its IUPAC name is [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
PubChem CID105310370
Molecular FormulaC18H23IN2
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC Name[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
SMILESCC(C)(C)c1ccc(C(Cc2ccc(I)cc2)NN)cc1
InChIInChI=1S/C18H23IN2/c1-18(2,3)15-8-6-14(7-9-15)17(21-20)12-13-4-10-16(19)11-5-13/h4-11,17,21H,12,20H2,1-3H3
InChIKeyQRGQYXGYRWCOIW-UHFFFAOYSA-N
XLogP4.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[1-(4-bromophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105192389
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
[2-(4-iodophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196467
[1-(4-tert-butylphenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209061
[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
[1-(4-tert-butylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220487
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208110
[2-(4-tert-butylphenyl)-1-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105253806
N-ethyl-1,2-bis(4-iodophenyl)ethanamine
CID 115864070
1,2-bis(4-bromophenyl)ethylhydrazine
CID 105192515

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine (CID 105310370) is [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine is CC(C)(C)c1ccc(C(Cc2ccc(I)cc2)NN)cc1.
What is the InChIKey of [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine?
The InChIKey is QRGQYXGYRWCOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN2/c1-18(2,3)15-8-6-14(7-9-15)17(21-20)12-13-4-10-16(19)11-5-13/h4-11,17,21H,12,20H2,1-3H3.
What are the key properties of [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine?
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine has a molecular weight of 394.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine is sourced from PubChem (CID 105310370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).