5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline

C11H18ClN3 — CID 105224215

IUPAC5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
SMILESCCC(C)C(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C11H18ClN3/c1-3-7(2)11(15-14)9-5-4-8(12)6-10(9)13/h4-7,11,15H,3,13-14H2,1-2H3
InChIKeyUDOYHGMEPSOGJE-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.47
Rot. Bonds4

About 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline

5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline (PubChem CID 105224215) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
PubChem CID105224215
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
SMILESCCC(C)C(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C11H18ClN3/c1-3-7(2)11(15-14)9-5-4-8(12)6-10(9)13/h4-7,11,15H,3,13-14H2,1-2H3
InChIKeyUDOYHGMEPSOGJE-UHFFFAOYSA-N
XLogP2.47
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.47
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-chloro-2-(1-hydrazinyl-4-methylpentyl)aniline
CID 105224018
5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
CID 105224234
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
5-chloro-2-(3-ethyl-1-hydrazinylheptyl)aniline
CID 105224098
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 107994549
(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-3-methylpentan-2-ol
CID 171265293
5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224204
5-chloro-2-[2-(2,5-dichlorophenyl)-1-hydrazinylethyl]aniline
CID 105224259
5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
CID 105224101
[1-(2-chloro-6-fluorophenyl)-2-methylbutyl]hydrazine
CID 105325664
2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
CID 79446296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline?
The IUPAC name of 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline (CID 105224215) is 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline.
What is the SMILES notation for 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline?
The canonical SMILES for 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline is CCC(C)C(NN)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline?
The InChIKey is UDOYHGMEPSOGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-3-7(2)11(15-14)9-5-4-8(12)6-10(9)13/h4-7,11,15H,3,13-14H2,1-2H3.
What are the key properties of 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline?
5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline has a molecular weight of 227.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline is sourced from PubChem (CID 105224215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).