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

C16H16F2N2O2 — CID 9060532

IUPACN-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
SMILESCOc1ccc(/C=N\Nc2cccc(C)c2)cc1OC(F)F
InChIInChI=1S/C16H16F2N2O2/c1-11-4-3-5-13(8-11)20-19-10-12-6-7-14(21-2)15(9-12)22-16(17)18/h3-10,16,20H,1-2H3/b19-10-
InChIKeyJCPQAZFEBISNIG-GRSHGNNSSA-N
MW306.31 g/mol
LogP4.05
Rot. Bonds6

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

N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline (PubChem CID 9060532) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline.

Molecular Properties

Compound NameN-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
PubChem CID9060532
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
SMILESCOc1ccc(/C=N\Nc2cccc(C)c2)cc1OC(F)F
InChIInChI=1S/C16H16F2N2O2/c1-11-4-3-5-13(8-11)20-19-10-12-6-7-14(21-2)15(9-12)22-16(17)18/h3-10,16,20H,1-2H3/b19-10-
InChIKeyJCPQAZFEBISNIG-GRSHGNNSSA-N
XLogP4.05
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.05
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-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
CID 5084766
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
1-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256401
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7665025
2-bromo-6-methoxy-4-[[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 5068133
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
CID 9059368
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline?
The IUPAC name of N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline (CID 9060532) is N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline.
What is the SMILES notation for N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline?
The canonical SMILES for N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline is COc1ccc(/C=N\Nc2cccc(C)c2)cc1OC(F)F.
What is the InChIKey of N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline?
The InChIKey is JCPQAZFEBISNIG-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-11-4-3-5-13(8-11)20-19-10-12-6-7-14(21-2)15(9-12)22-16(17)18/h3-10,16,20H,1-2H3/b19-10-.
What are the key properties of N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline?
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline has a molecular weight of 306.31 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline is sourced from PubChem (CID 9060532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).