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

C15H19N3O — CID 105223778

IUPAC2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCCOc1ccc(C(NN)c2ccccc2N)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-12-9-7-11(8-10-12)15(18-17)13-5-3-4-6-14(13)16/h3-10,15,18H,2,16-17H2,1H3
InChIKeyNKPMEVPWOUOUIZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds5

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

2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline (PubChem CID 105223778) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
PubChem CID105223778
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
SMILESCCOc1ccc(C(NN)c2ccccc2N)cc1
InChIInChI=1S/C15H19N3O/c1-2-19-12-9-7-11(8-10-12)15(18-17)13-5-3-4-6-14(13)16/h3-10,15,18H,2,16-17H2,1H3
InChIKeyNKPMEVPWOUOUIZ-UHFFFAOYSA-N
XLogP2.22
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
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-ethoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105260722
5-chloro-2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline
CID 105224096
[(4-ethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194292
[(4-butoxyphenyl)-(2-chlorophenyl)methyl]hydrazine
CID 105287427
[(2,5-dibromophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300739
[(2-ethylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304185
2-benzhydryl-4-ethoxyaniline
CID 174855019
[(4,5-dimethylthiophen-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300674
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
[(4-ethoxyphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288044
[(3-bromo-4-methoxyphenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105300768
[(4-ethoxyphenyl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264597

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline (CID 105223778) is 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline is CCOc1ccc(C(NN)c2ccccc2N)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
The InChIKey is NKPMEVPWOUOUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-12-9-7-11(8-10-12)15(18-17)13-5-3-4-6-14(13)16/h3-10,15,18H,2,16-17H2,1H3.
What are the key properties of 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline?
2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline has a molecular weight of 257.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).