(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine

C18H25FN2 — CID 126727576

IUPAC(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine
SMILESC=C(C)N/C(C)=C/C(=N/Cc1ccc(C)cc1)C(C)(C)F
InChIInChI=1S/C18H25FN2/c1-13(2)21-15(4)11-17(18(5,6)19)20-12-16-9-7-14(3)8-10-16/h7-11,21H,1,12H2,2-6H3/b15-11+,20-17-
InChIKeyROGBEXUCCZHSTA-FIDCRMESSA-N
MW288.41 g/mol
LogP4.71
Rot. Bonds6

About (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine

(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine (PubChem CID 126727576) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine.

Molecular Properties

Compound Name(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine
PubChem CID126727576
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC Name(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine
SMILESC=C(C)N/C(C)=C/C(=N/Cc1ccc(C)cc1)C(C)(C)F
InChIInChI=1S/C18H25FN2/c1-13(2)21-15(4)11-17(18(5,6)19)20-12-16-9-7-14(3)8-10-16/h7-11,21H,1,12H2,2-6H3/b15-11+,20-17-
InChIKeyROGBEXUCCZHSTA-FIDCRMESSA-N
XLogP4.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.71
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

(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
CID 67231281
(E)-3-[1-(4-ethylphenyl)ethenylimino]-2-fluoroprop-1-en-1-amine
CID 68215356
4-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]cyclohexa-1,5-dien-1-amine
CID 69592268
(Z)-1-fluoro-2-N-methyl-4-N-methylidene-4-phenylbut-3-ene-2,4-diimine
CID 88578795
(Z)-4-[1-(2-fluorophenyl)ethenylimino]but-2-en-2-amine
CID 89170057
(Z)-3-[1-(3-fluoro-4-oct-1-en-4-ylphenyl)ethenylimino]prop-1-en-1-amine
CID 89221559
(E)-2-fluoro-3-[1-(4-methylphenyl)ethenylimino]prop-1-en-1-amine
CID 89355419
(1Z,4Z)-2-N-[(4Z,5Z)-4-ethylideneocta-5,7-dienyl]-1-(4-fluorophenyl)-1-N-methyl-5-(prop-2-enylideneamino)penta-1,4-diene-1,2-diamine
CID 89385598
5-(2-fluoro-4-methylphenyl)-3H-pyrrol-2-amine
CID 90326420
2-methyl-N-[[3-[C-methyl-N-[(4E)-3,6,7-trimethylidene-5-(trifluoromethyl)deca-1,4,8-trien-2-yl]carbonimidoyl]phenyl]methyl]propan-1-amine
CID 123297049
N-[1-(4-methylphenyl)ethenyl]-2-(trifluoromethyl)hexa-1,4-dien-3-imine
CID 123560653

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine?
The IUPAC name of (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine (CID 126727576) is (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine.
What is the SMILES notation for (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine?
The canonical SMILES for (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine is C=C(C)N/C(C)=C/C(=N/Cc1ccc(C)cc1)C(C)(C)F.
What is the InChIKey of (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine?
The InChIKey is ROGBEXUCCZHSTA-FIDCRMESSA-N. The full InChI is InChI=1S/C18H25FN2/c1-13(2)21-15(4)11-17(18(5,6)19)20-12-16-9-7-14(3)8-10-16/h7-11,21H,1,12H2,2-6H3/b15-11+,20-17-.
What are the key properties of (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine?
(E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine has a molecular weight of 288.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-5-methyl-4-[(4-methylphenyl)methylimino]-N-prop-1-en-2-ylhex-2-en-2-amine is sourced from PubChem (CID 126727576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).