(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine

C19H19F2N3 — CID 142838158

IUPAC(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/C=N\N(C)/C(=C\C(=N\C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3/c1-4-23-24(3)19(15-7-11-17(21)12-8-15)13-18(22-2)14-5-9-16(20)10-6-14/h4-13H,1-3H3/b19-13-,22-18-,23-4-
InChIKeyGPXLRRILGXSSEA-NJSIFUPZSA-N
MW327.38 g/mol
LogP4.36
Rot. Bonds5

About (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine

(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine (PubChem CID 142838158) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine
PubChem CID142838158
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine
SMILESC/C=N\N(C)/C(=C\C(=N\C)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H19F2N3/c1-4-23-24(3)19(15-7-11-17(21)12-8-15)13-18(22-2)14-5-9-16(20)10-6-14/h4-13H,1-3H3/b19-13-,22-18-,23-4-
InChIKeyGPXLRRILGXSSEA-NJSIFUPZSA-N
XLogP4.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
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

1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 10376837
2-Methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 275641
3-(2-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164304
3-(3-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164305
3-(4-Fluorophenyl)-2-methyl-5-phenyl-3,4-dihydropyrazole
CID 72164306
2-Methyl-3-(3-methylphenyl)-5-phenyl-3,4-dihydropyrazole
CID 72164308
N,N-Dibenzyl-N''-[1-phenyl-eth-(E)-ylidene]-hydrazine
CID 44308982
N-benzyl-1-phenyl-N-[(Z)-[(Z)-4,4,4-trifluoro-2-methylbut-2-enylidene]amino]methanamine
CID 134951092
N-benzyl-1-phenyl-N-[(Z)-(4,4,4-trifluoro-2-methylidenebutylidene)amino]methanamine
CID 134951093
N-[(3-fluorophenyl)methyl]-N-[(E)-1-phenylethylideneamino]propan-2-amine
CID 135072768
N-benzyl-1-phenyl-N-[(E)-[(E)-4,4,4-trifluorobut-2-enylidene]amino]methanamine
CID 139044131
5-(4-Ethylphenyl)-3-(4-fluorophenyl)-2-methyl-3,4-dihydropyrazole
CID 56590130

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine (CID 142838158) is (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine is C/C=N\N(C)/C(=C\C(=N\C)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is GPXLRRILGXSSEA-NJSIFUPZSA-N. The full InChI is InChI=1S/C19H19F2N3/c1-4-23-24(3)19(15-7-11-17(21)12-8-15)13-18(22-2)14-5-9-16(20)10-6-14/h4-13H,1-3H3/b19-13-,22-18-,23-4-.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine?
(Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 327.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]-1,3-bis(4-fluorophenyl)-N-methyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 142838158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).