4-bromo-2-(1-hydrazinyloctyl)aniline

C14H24BrN3 — CID 105263445

IUPAC4-bromo-2-(1-hydrazinyloctyl)aniline
SMILESCCCCCCCC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C14H24BrN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h8-10,14,18H,2-7,16-17H2,1H3
InChIKeyFNYIRPWHHXJDQG-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.90
Rot. Bonds8

About 4-bromo-2-(1-hydrazinyloctyl)aniline

4-bromo-2-(1-hydrazinyloctyl)aniline (PubChem CID 105263445) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-bromo-2-(1-hydrazinyloctyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(1-hydrazinyloctyl)aniline
PubChem CID105263445
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name4-bromo-2-(1-hydrazinyloctyl)aniline
SMILESCCCCCCCC(NN)c1cc(Br)ccc1N
InChIInChI=1S/C14H24BrN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h8-10,14,18H,2-7,16-17H2,1H3
InChIKeyFNYIRPWHHXJDQG-UHFFFAOYSA-N
XLogP3.90
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
1-(4-bromo-2-methylphenyl)undecylhydrazine
CID 105298297
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
1-(4-bromo-2-methylphenyl)octylhydrazine
CID 105293450
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
1-(2,5-dibromophenyl)pentylhydrazine
CID 105293801
1-(4-bromo-2-methoxyphenyl)octylhydrazine
CID 105293670
1-(4-bromo-2-methoxyphenyl)hexylhydrazine
CID 105294755
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
1-(3,5-dibromophenyl)heptylhydrazine
CID 107978976
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydrazinyloctyl)aniline?
The IUPAC name of 4-bromo-2-(1-hydrazinyloctyl)aniline (CID 105263445) is 4-bromo-2-(1-hydrazinyloctyl)aniline.
What is the SMILES notation for 4-bromo-2-(1-hydrazinyloctyl)aniline?
The canonical SMILES for 4-bromo-2-(1-hydrazinyloctyl)aniline is CCCCCCCC(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(1-hydrazinyloctyl)aniline?
The InChIKey is FNYIRPWHHXJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h8-10,14,18H,2-7,16-17H2,1H3.
What are the key properties of 4-bromo-2-(1-hydrazinyloctyl)aniline?
4-bromo-2-(1-hydrazinyloctyl)aniline has a molecular weight of 314.27 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydrazinyloctyl)aniline is sourced from PubChem (CID 105263445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).