N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline

C21H18F2N2O2 — CID 5348595

IUPACN-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N/Nc2ccccc2)cc1COc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(22)12-19(21)23/h2-13,25H,14H2,1H3/b24-13+
InChIKeyVSVDJUSPUSGDJO-ZMOGYAJESA-N
MW368.38 g/mol
LogP5.00
Rot. Bonds7

About N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline

N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline (PubChem CID 5348595) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
PubChem CID5348595
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC NameN-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
SMILESCOc1ccc(/C=N/Nc2ccccc2)cc1COc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(22)12-19(21)23/h2-13,25H,14H2,1H3/b24-13+
InChIKeyVSVDJUSPUSGDJO-ZMOGYAJESA-N
XLogP5.00
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 55.00
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

N-[[4-methoxy-3-[(2-prop-2-enylphenoxy)methyl]phenyl]methylideneamino]aniline
CID 169382362
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[[3-(aminomethyl)-4-methoxyphenyl]methylideneamino]aniline
CID 169383589
1-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3674989
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382469
3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840215
2-[(2E)-2-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 19578665
N'-[(E)-[3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 19659029
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 98095090

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The IUPAC name of N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline (CID 5348595) is N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline.
What is the SMILES notation for N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The canonical SMILES for N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline is COc1ccc(/C=N/Nc2ccccc2)cc1COc1ccc(F)cc1F.
What is the InChIKey of N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
The InChIKey is VSVDJUSPUSGDJO-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-26-20-9-7-15(13-24-25-18-5-3-2-4-6-18)11-16(20)14-27-21-10-8-17(22)12-19(21)23/h2-13,25H,14H2,1H3/b24-13+.
What are the key properties of N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline?
N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline has a molecular weight of 368.38 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline is sourced from PubChem (CID 5348595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).