N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline

C15H19BrN4 — CID 91267601

IUPACN-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline
SMILESCC(C)c1ccc(NNN(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H19BrN4/c1-11(2)12-3-7-14(8-4-12)18-19-20(17)15-9-5-13(16)6-10-15/h3-11,18-19H,17H2,1-2H3
InChIKeyDKYCLYQIYXTUKP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.78
Rot. Bonds5

About N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline

N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline (PubChem CID 91267601) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline.

Molecular Properties

Compound NameN-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline
PubChem CID91267601
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline
SMILESCC(C)c1ccc(NNN(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H19BrN4/c1-11(2)12-3-7-14(8-4-12)18-19-20(17)15-9-5-13(16)6-10-15/h3-11,18-19H,17H2,1-2H3
InChIKeyDKYCLYQIYXTUKP-UHFFFAOYSA-N
XLogP3.78
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline?
The IUPAC name of N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline (CID 91267601) is N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline.
What is the SMILES notation for N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline?
The canonical SMILES for N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline is CC(C)c1ccc(NNN(N)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline?
The InChIKey is DKYCLYQIYXTUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-11(2)12-3-7-14(8-4-12)18-19-20(17)15-9-5-13(16)6-10-15/h3-11,18-19H,17H2,1-2H3.
What are the key properties of N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline?
N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline has a molecular weight of 335.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N-[2-(4-propan-2-ylphenyl)hydrazinyl]aniline is sourced from PubChem (CID 91267601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).