5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline

C15H18ClN3O — CID 105224096

IUPAC5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCCOc1ccc(C(NN)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-20-12-6-3-10(4-7-12)15(19-18)13-8-5-11(16)9-14(13)17/h3-9,15,19H,2,17-18H2,1H3
InChIKeyQQBRMVHVFMUCLZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.87
Rot. Bonds5

About 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline

5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline (PubChem CID 105224096) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
PubChem CID105224096
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCCOc1ccc(C(NN)c2ccc(Cl)cc2N)cc1
InChIInChI=1S/C15H18ClN3O/c1-2-20-12-6-3-10(4-7-12)15(19-18)13-8-5-11(16)9-14(13)17/h3-9,15,19H,2,17-18H2,1H3
InChIKeyQQBRMVHVFMUCLZ-UHFFFAOYSA-N
XLogP2.87
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.87
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

2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105223778
[(2,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 105328002
[2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105200111
[2-(2,5-dichlorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105309809
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
CID 105281210
[(2-ethoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105260722
[(2,5-dibromophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300739
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
[(4-chloro-2-methoxyphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330019
5-chloro-2-(1-hydrazinyl-2-methylbutyl)aniline
CID 105224215

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline (CID 105224096) is 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline is CCOc1ccc(C(NN)c2ccc(Cl)cc2N)cc1.
What is the InChIKey of 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The InChIKey is QQBRMVHVFMUCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-20-12-6-3-10(4-7-12)15(19-18)13-8-5-11(16)9-14(13)17/h3-9,15,19H,2,17-18H2,1H3.
What are the key properties of 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline has a molecular weight of 291.78 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105224096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).