4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline

C15H18BrN3O2 — CID 105263567

IUPAC4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCOc1ccc(OC)c(C(NN)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H18BrN3O2/c1-20-10-4-6-14(21-2)12(8-10)15(19-18)11-7-9(16)3-5-13(11)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyDXRDFBGRNBSSAY-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.60
Rot. Bonds5

About 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline

4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline (PubChem CID 105263567) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
PubChem CID105263567
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCOc1ccc(OC)c(C(NN)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H18BrN3O2/c1-20-10-4-6-14(21-2)12(8-10)15(19-18)11-7-9(16)3-5-13(11)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyDXRDFBGRNBSSAY-UHFFFAOYSA-N
XLogP2.60
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2-bromo-3-fluorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 105305078
[(3-bromo-5-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 107948215
[(5-bromo-2-methoxyphenyl)-(4-fluorophenyl)methyl]hydrazine
CID 112742212
[(2,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]hydrazine
CID 105305140
[(4-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methyl]hydrazine
CID 105280978
1-(4-bromo-2-fluorophenyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 43481987
[(2-bromo-6-fluorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 105280478
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
[(2,5-dimethoxyphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105196872
2-[bromo-(4-bromo-2-methoxyphenyl)methyl]-1,4-dimethoxybenzene
CID 115369851
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
[(2,5-dimethoxyphenyl)-(4-ethylphenyl)methyl]hydrazine
CID 105197445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline (CID 105263567) is 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline is COc1ccc(OC)c(C(NN)c2cc(Br)ccc2N)c1.
What is the InChIKey of 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The InChIKey is DXRDFBGRNBSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-20-10-4-6-14(21-2)12(8-10)15(19-18)11-7-9(16)3-5-13(11)17/h3-8,15,19H,17-18H2,1-2H3.
What are the key properties of 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline?
4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline has a molecular weight of 352.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).