4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline

C17H19FN2O — CID 110506310

IUPAC4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
SMILESCC(C)COc1cccc(/C=N/Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-13(2)12-21-17-5-3-4-14(10-17)11-19-20-16-8-6-15(18)7-9-16/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyFWZPKFVJZMANCA-YBFXNURJSA-N
MW286.35 g/mol
LogP4.31
Rot. Bonds6

About 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline

4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline (PubChem CID 110506310) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
PubChem CID110506310
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline
SMILESCC(C)COc1cccc(/C=N/Nc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-13(2)12-21-17-5-3-4-14(10-17)11-19-20-16-8-6-15(18)7-9-16/h3-11,13,20H,12H2,1-2H3/b19-11+
InChIKeyFWZPKFVJZMANCA-YBFXNURJSA-N
XLogP4.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
N-[[3-(2-methoxyethoxy)phenyl]methylideneamino]aniline
CID 169382542
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
4-bromo-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516030
N-[[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 110842530
4-fluoro-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110506234
1-cyclohexyl-3-[(Z)-[3-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 110536887
N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide
CID 124551098
ethyl 2-[2-[(2Z)-2-[[3-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110535029
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline (CID 110506310) is 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline is CC(C)COc1cccc(/C=N/Nc2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline?
The InChIKey is FWZPKFVJZMANCA-YBFXNURJSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(2)12-21-17-5-3-4-14(10-17)11-19-20-16-8-6-15(18)7-9-16/h3-11,13,20H,12H2,1-2H3/b19-11+.
What are the key properties of 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline?
4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline has a molecular weight of 286.35 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 110506310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).