4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline

C14H15BrFN3 — CID 107130871

IUPAC4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline
SMILESCc1ccc(C(NN)c2cc(Br)ccc2N)cc1F
InChIInChI=1S/C14H15BrFN3/c1-8-2-3-9(6-12(8)16)14(19-18)11-7-10(15)4-5-13(11)17/h2-7,14,19H,17-18H2,1H3
InChIKeyGYBKKPGJCKHYPL-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.03
Rot. Bonds3

About 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline

4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline (PubChem CID 107130871) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline
PubChem CID107130871
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline
SMILESCc1ccc(C(NN)c2cc(Br)ccc2N)cc1F
InChIInChI=1S/C14H15BrFN3/c1-8-2-3-9(6-12(8)16)14(19-18)11-7-10(15)4-5-13(11)17/h2-7,14,19H,17-18H2,1H3
InChIKeyGYBKKPGJCKHYPL-UHFFFAOYSA-N
XLogP3.03
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.03
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

[(5-bromo-2-fluorophenyl)-(4-bromo-3-methylphenyl)methyl]hydrazine
CID 105323074
4-bromo-2-[(2-fluoro-5-methylphenyl)-hydrazinylmethyl]aniline
CID 105263411
[(5-bromo-2-fluorophenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194403
[(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131008
[(2-bromo-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131075
[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105201447
[(2-bromo-4-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 114025685
[(3-fluoro-4-methylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105201418
[(4-chloro-2,5-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131089
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075
[(3-fluoro-4-methylphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105201411
[(5-bromo-2-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286710

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline (CID 107130871) is 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline is Cc1ccc(C(NN)c2cc(Br)ccc2N)cc1F.
What is the InChIKey of 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline?
The InChIKey is GYBKKPGJCKHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-8-2-3-9(6-12(8)16)14(19-18)11-7-10(15)4-5-13(11)17/h2-7,14,19H,17-18H2,1H3.
What are the key properties of 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline?
4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline has a molecular weight of 324.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-fluoro-4-methylphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 107130871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).