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

C13H12BrCl2N3 — CID 105263516

IUPAC4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H12BrCl2N3/c14-7-1-4-12(17)10(5-7)13(19-18)9-6-8(15)2-3-11(9)16/h1-6,13,19H,17-18H2
InChIKeyXUEREECWQFYDGP-UHFFFAOYSA-N
MW361.07 g/mol
LogP3.89
Rot. Bonds3

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

4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline (PubChem CID 105263516) has the molecular formula C13H12BrCl2N3 and a molecular weight of 361.07 g/mol. Its IUPAC name is 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
PubChem CID105263516
Molecular FormulaC13H12BrCl2N3
Molecular Weight361.07 g/mol
Exact Mass358.96
IUPAC Name4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H12BrCl2N3/c14-7-1-4-12(17)10(5-7)13(19-18)9-6-8(15)2-3-11(9)16/h1-6,13,19H,17-18H2
InChIKeyXUEREECWQFYDGP-UHFFFAOYSA-N
XLogP3.89
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
CID 105263375
[(2,4-dibromophenyl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 107948184
[(5-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105303164
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
[(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105284036
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925
[(5-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 105300354
[(2,5-dichlorophenyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194107
[(4-bromo-2-chlorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105303405
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
[(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methyl]hydrazine
CID 105301983

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline (CID 105263516) is 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline is NNC(c1cc(Br)ccc1N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline?
The InChIKey is XUEREECWQFYDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c14-7-1-4-12(17)10(5-7)13(19-18)9-6-8(15)2-3-11(9)16/h1-6,13,19H,17-18H2.
What are the key properties of 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline?
4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline has a molecular weight of 361.07 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).