N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine

C19H20FN — CID 167080179

IUPACN-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine
SMILESC=C(Cc1ccc(F)cc1)c1cc(C)c(/N=C/C)cc1C
InChIInChI=1S/C19H20FN/c1-5-21-19-12-14(3)18(11-15(19)4)13(2)10-16-6-8-17(20)9-7-16/h5-9,11-12H,2,10H2,1,3-4H3/b21-5+
InChIKeyKQPVAAAXKBPOEN-IGCPIRJNSA-N
MW281.37 g/mol
LogP5.42
Rot. Bonds4

About N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine

N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine (PubChem CID 167080179) has the molecular formula C19H20FN and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine
PubChem CID167080179
Molecular FormulaC19H20FN
Molecular Weight281.37 g/mol
Exact Mass281.16
IUPAC NameN-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine
SMILESC=C(Cc1ccc(F)cc1)c1cc(C)c(/N=C/C)cc1C
InChIInChI=1S/C19H20FN/c1-5-21-19-12-14(3)18(11-15(19)4)13(2)10-16-6-8-17(20)9-7-16/h5-9,11-12H,2,10H2,1,3-4H3/b21-5+
InChIKeyKQPVAAAXKBPOEN-IGCPIRJNSA-N
XLogP5.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.37
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
N-ethyl-N'-[4-[2-(4-ethylphenyl)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 163372451
1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726186
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanone
CID 81473906
2-[(4-fluorophenyl)methyl]prop-2-en-1-ol
CID 117266723
1-[(E)-but-2-en-2-yl]-5-[3-(3-fluorophenyl)propyl]-2-methyl-4-prop-1-en-2-ylbenzene
CID 143621628
[4-(ethylideneamino)-2,5-dimethylphenyl]-[5-(trifluoromethyl)indol-1-yl]methanone
CID 163372641
ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine?
The IUPAC name of N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine (CID 167080179) is N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine is C=C(Cc1ccc(F)cc1)c1cc(C)c(/N=C/C)cc1C.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine?
The InChIKey is KQPVAAAXKBPOEN-IGCPIRJNSA-N. The full InChI is InChI=1S/C19H20FN/c1-5-21-19-12-14(3)18(11-15(19)4)13(2)10-16-6-8-17(20)9-7-16/h5-9,11-12H,2,10H2,1,3-4H3/b21-5+.
What are the key properties of N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine?
N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine has a molecular weight of 281.37 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)prop-1-en-2-yl]-2,5-dimethylphenyl]ethanimine is sourced from PubChem (CID 167080179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).