N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline

C17H18F2N2O2 — CID 9059368

IUPACN-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
SMILESCCOc1cc(/C=N\Nc2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O2/c1-3-22-16-10-13(6-9-15(16)23-17(18)19)11-20-21-14-7-4-12(2)5-8-14/h4-11,17,21H,3H2,1-2H3/b20-11-
InChIKeyFRPVZUWUMDBODW-JAIQZWGSSA-N
MW320.34 g/mol
LogP4.44
Rot. Bonds7

About N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline

N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline (PubChem CID 9059368) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
PubChem CID9059368
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
SMILESCCOc1cc(/C=N\Nc2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O2/c1-3-22-16-10-13(6-9-15(16)23-17(18)19)11-20-21-14-7-4-12(2)5-8-14/h4-11,17,21H,3H2,1-2H3/b20-11-
InChIKeyFRPVZUWUMDBODW-JAIQZWGSSA-N
XLogP4.44
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.44
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-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxyaniline
CID 110508914
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 169382210
N-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-4-methylaniline
CID 110505514
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505520
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
N-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076289
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-(4-methylphenyl)prop-2-en-1-one
CID 4773903
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline?
The IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline (CID 9059368) is N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline?
The canonical SMILES for N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline is CCOc1cc(/C=N\Nc2ccc(C)cc2)ccc1OC(F)F.
What is the InChIKey of N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline?
The InChIKey is FRPVZUWUMDBODW-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-3-22-16-10-13(6-9-15(16)23-17(18)19)11-20-21-14-7-4-12(2)5-8-14/h4-11,17,21H,3H2,1-2H3/b20-11-.
What are the key properties of N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline?
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline has a molecular weight of 320.34 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline is sourced from PubChem (CID 9059368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).