3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine

C12H15FN2 — CID 145145972

IUPAC3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
SMILESC=C(NC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-4-15-12(9(2)14-3)10-5-7-11(13)8-6-10/h5-8,14H,2,4H2,1,3H3/b15-12+
InChIKeyNLNNADYUTGLPSE-NTCAYCPXSA-N
MW206.26 g/mol
LogP2.37
Rot. Bonds4

About 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine

3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine (PubChem CID 145145972) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
PubChem CID145145972
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
SMILESC=C(NC)/C(=N\CC)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2/c1-4-15-12(9(2)14-3)10-5-7-11(13)8-6-10/h5-8,14H,2,4H2,1,3H3/b15-12+
InChIKeyNLNNADYUTGLPSE-NTCAYCPXSA-N
XLogP2.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-3-imidazoline
CID 56621221
5-[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-ylidene]-7-methyl-1,6-dihydrocyclopenta[b]pyrazine
CID 22037986
4-(2-fluorophenyl)-2,5-dihydro-1H-imidazole
CID 57274818
3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
CID 89191706
(Z)-4-(2,6-difluorophenyl)-3-methyliminobut-1-en-1-amine
CID 89282752
(Z,4Z)-4-[6-(4-fluorophenyl)-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 89789235
(8aS)-2-(4-fluorophenyl)-N-methyl-8,8a-dihydroquinolin-6-amine
CID 89789380
N-[2-(4-fluorophenyl)-2-iminoethyl]-N-prop-2-enylprop-2-en-1-amine
CID 89834480
1-[4-(C-ethenyl-N-methylcarbonimidoyl)-3-fluorophenyl]-N-methylmethanamine
CID 91051986
(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 121321870
3-[(4-Fluorophenyl)methyl]-6-methyl-1,2-dihydropyridine
CID 121480988
3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine
CID 123356607

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The IUPAC name of 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine (CID 145145972) is 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine is C=C(NC)/C(=N\CC)c1ccc(F)cc1.
What is the InChIKey of 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The InChIKey is NLNNADYUTGLPSE-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-15-12(9(2)14-3)10-5-7-11(13)8-6-10/h5-8,14H,2,4H2,1,3H3/b15-12+.
What are the key properties of 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-3-(4-fluorophenyl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 145145972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).