N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine

C14H19FN2 — CID 142558397

IUPACN-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine
SMILESC=N/C=C(\NCC(C)C)c1ccc(C)cc1F
InChIInChI=1S/C14H19FN2/c1-10(2)8-17-14(9-16-4)12-6-5-11(3)7-13(12)15/h5-7,9-10,17H,4,8H2,1-3H3/b14-9-
InChIKeyJPGYMMHZTNUUFT-ZROIWOOFSA-N
MW234.32 g/mol
LogP3.38
Rot. Bonds5

About N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine

N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine (PubChem CID 142558397) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine
PubChem CID142558397
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine
SMILESC=N/C=C(\NCC(C)C)c1ccc(C)cc1F
InChIInChI=1S/C14H19FN2/c1-10(2)8-17-14(9-16-4)12-6-5-11(3)7-13(12)15/h5-7,9-10,17H,4,8H2,1-3H3/b14-9-
InChIKeyJPGYMMHZTNUUFT-ZROIWOOFSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine (CID 142558397) is N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine is C=N/C=C(\NCC(C)C)c1ccc(C)cc1F.
What is the InChIKey of N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine?
The InChIKey is JPGYMMHZTNUUFT-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H19FN2/c1-10(2)8-17-14(9-16-4)12-6-5-11(3)7-13(12)15/h5-7,9-10,17H,4,8H2,1-3H3/b14-9-.
What are the key properties of N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine?
N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine has a molecular weight of 234.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-fluoro-4-methylphenyl)-2-(methylideneamino)ethenyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142558397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).