5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline

C15H18ClN3O2 — CID 105224204

IUPAC5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCOc1cccc(OC)c1C(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C15H18ClN3O2/c1-20-12-4-3-5-13(21-2)14(12)15(19-18)10-7-6-9(16)8-11(10)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyCFXMDINMIBTHFG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.49
Rot. Bonds5

About 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline

5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline (PubChem CID 105224204) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
PubChem CID105224204
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCOc1cccc(OC)c1C(NN)c1ccc(Cl)cc1N
InChIInChI=1S/C15H18ClN3O2/c1-20-12-4-3-5-13(21-2)14(12)15(19-18)10-7-6-9(16)8-11(10)17/h3-8,15,19H,17-18H2,1-2H3
InChIKeyCFXMDINMIBTHFG-UHFFFAOYSA-N
XLogP2.49
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-chlorophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105341281
[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
[(4-chloro-2-fluorophenyl)-(2,3-dimethoxyphenyl)methyl]hydrazine
CID 105328431
[(3-chloro-5-methylphenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105341204
[(2,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252459
[(3,4-dichlorophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105257162
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[(2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 105208713
[(2-fluoro-6-methoxyphenyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105252432
5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
CID 105224101
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline (CID 105224204) is 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline is COc1cccc(OC)c1C(NN)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline?
The InChIKey is CFXMDINMIBTHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-20-12-4-3-5-13(21-2)14(12)15(19-18)10-7-6-9(16)8-11(10)17/h3-8,15,19H,17-18H2,1-2H3.
What are the key properties of 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline?
5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline has a molecular weight of 307.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,6-dimethoxyphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105224204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).