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

C9H14ClN3O — CID 105224234

IUPAC5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
SMILESCOCC(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C9H14ClN3O/c1-14-5-9(13-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,5,11-12H2,1H3
InChIKeyGGNGNGGAPDFPAS-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.07
Rot. Bonds4

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

5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline (PubChem CID 105224234) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
PubChem CID105224234
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline
SMILESCOCC(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C9H14ClN3O/c1-14-5-9(13-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,5,11-12H2,1H3
InChIKeyGGNGNGGAPDFPAS-UHFFFAOYSA-N
XLogP1.07
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(2,5-dichlorophenyl)-1-hydrazinylethyl]aniline
CID 105224259
5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
CID 105224215
[1-(2-fluoro-4-methylphenyl)-2-methoxyethyl]hydrazine
CID 105321602
5-chloro-2-(3-ethyl-1-hydrazinylheptyl)aniline
CID 105224098
5-chloro-2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]aniline
CID 107066106
1-(2,4-dichlorophenyl)-N-ethyl-2-methoxyethanamine
CID 105008882
[1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyethyl]hydrazine
CID 105250282
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224204
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096
5-chloro-2-[2-(3,3-difluorocyclopentyl)-1-hydrazinylethyl]aniline
CID 114225964

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline?
The IUPAC name of 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline (CID 105224234) is 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline.
What is the SMILES notation for 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline?
The canonical SMILES for 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline is COCC(NN)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline?
The InChIKey is GGNGNGGAPDFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-14-5-9(13-12)7-3-2-6(10)4-8(7)11/h2-4,9,13H,5,11-12H2,1H3.
What are the key properties of 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline?
5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline has a molecular weight of 215.68 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-hydrazinyl-2-methoxyethyl)aniline is sourced from PubChem (CID 105224234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).