N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline

C16H13F5N2O2 — CID 3976623

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
SMILESCOc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C16H13F5N2O2/c1-24-14-8-10(6-7-13(14)25-15(17)18)9-22-23-12-5-3-2-4-11(12)16(19,20)21/h2-9,15,23H,1H3
InChIKeyLEIBTVXUQHQDHK-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.76
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline (PubChem CID 3976623) has the molecular formula C16H13F5N2O2 and a molecular weight of 360.28 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
PubChem CID3976623
Molecular FormulaC16H13F5N2O2
Molecular Weight360.28 g/mol
Exact Mass360.09
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
SMILESCOc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C16H13F5N2O2/c1-24-14-8-10(6-7-13(14)25-15(17)18)9-22-23-12-5-3-2-4-11(12)16(19,20)21/h2-9,15,23H,1H3
InChIKeyLEIBTVXUQHQDHK-UHFFFAOYSA-N
XLogP4.76
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.76
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

2-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9069889
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
4-chloro-N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]aniline
CID 9015386
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 6187772
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
CID 59021950
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate
CID 8972331

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline (CID 3976623) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline is COc1cc(C=NNc2ccccc2C(F)(F)F)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline?
The InChIKey is LEIBTVXUQHQDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O2/c1-24-14-8-10(6-7-13(14)25-15(17)18)9-22-23-12-5-3-2-4-11(12)16(19,20)21/h2-9,15,23H,1H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline has a molecular weight of 360.28 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 3976623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).