4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline

C13H13BrClN3 — CID 105263375

IUPAC4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7,13,18H,16-17H2
InChIKeyGSJNNIOXDFDSBQ-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline

4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline (PubChem CID 105263375) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
PubChem CID105263375
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc(Br)ccc1N)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7,13,18H,16-17H2
InChIKeyGSJNNIOXDFDSBQ-UHFFFAOYSA-N
XLogP3.24
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.24
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'}

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Related Compounds

4-bromo-2-[(2,5-dichlorophenyl)-hydrazinylmethyl]aniline
CID 105263516
2-[[(S)-(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetohydrazide
CID 1106502
2-[[(2-amino-5-bromophenyl)-(2-chlorophenyl)methyl]amino]acetic acid
CID 3844549
[[4-bromo-2-(trifluoromethyl)phenyl]-(2-chlorophenyl)methyl]hydrazine
CID 105212774
[(6-bromonaphthalen-2-yl)-(2-chlorophenyl)methyl]hydrazine
CID 105287430
[(2-bromo-4-methylphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287348
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658
4-bromo-2-[(2,5-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105263567
[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105211144
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
[(5-chlorofuran-2-yl)-(2-chlorophenyl)methyl]hydrazine
CID 106694196
[(3-chloro-2-fluorophenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105223242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline (CID 105263375) is 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline is NNC(c1cc(Br)ccc1N)c1ccccc1Cl.
What is the InChIKey of 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline?
The InChIKey is GSJNNIOXDFDSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-8-5-6-12(16)10(7-8)13(18-17)9-3-1-2-4-11(9)15/h1-7,13,18H,16-17H2.
What are the key properties of 4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline?
4-bromo-2-[(2-chlorophenyl)-hydrazinylmethyl]aniline has a molecular weight of 326.63 g/mol, XLogP of 3.24, 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-chlorophenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105263375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).