4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline

C17H18FN3O — CID 154979858

IUPAC4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2ccc(OCCF)cc2)cc1
InChIInChI=1S/C17H18FN3O/c1-19-16-6-2-14(3-7-16)12-20-21-13-15-4-8-17(9-5-15)22-11-10-18/h2-9,12-13,19H,10-11H2,1H3/b20-12+,21-13+
InChIKeyKCOWWIHUTBCHKL-ZIOPAAQOSA-N
MW299.35 g/mol
LogP3.53
Rot. Bonds7

About 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline

4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline (PubChem CID 154979858) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
PubChem CID154979858
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline
SMILESCNc1ccc(/C=N/N=C/c2ccc(OCCF)cc2)cc1
InChIInChI=1S/C17H18FN3O/c1-19-16-6-2-14(3-7-16)12-20-21-13-15-4-8-17(9-5-15)22-11-10-18/h2-9,12-13,19H,10-11H2,1H3/b20-12+,21-13+
InChIKeyKCOWWIHUTBCHKL-ZIOPAAQOSA-N
XLogP3.53
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
CID 45485172
4-[(E)-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 172917579
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979794
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979853
3-[4-[(E)-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]phenoxy]propan-1-ol
CID 10870679
4-[2-[6-(2-fluoroethoxy)-3-pyridinyl]ethenyl]-N-methylaniline
CID 72533525
4-(2-fluoroethoxy)benzaldehyde
CID 15058649
4-hexoxy-N-methylaniline
CID 54803445
N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
CID 58757918
4-[2-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
CID 75048273
ethane;1-(2-fluoroethoxy)-4-methylbenzene
CID 142309231

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline?
The IUPAC name of 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline (CID 154979858) is 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline is CNc1ccc(/C=N/N=C/c2ccc(OCCF)cc2)cc1.
What is the InChIKey of 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline?
The InChIKey is KCOWWIHUTBCHKL-ZIOPAAQOSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-19-16-6-2-14(3-7-16)12-20-21-13-15-4-8-17(9-5-15)22-11-10-18/h2-9,12-13,19H,10-11H2,1H3/b20-12+,21-13+.
What are the key properties of 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline?
4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline has a molecular weight of 299.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(E)-[4-(2-fluoroethoxy)phenyl]methylidenehydrazinylidene]methyl]-N-methylaniline is sourced from PubChem (CID 154979858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).