1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine

C29H33FN2 — CID 173276736

IUPAC1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine
SMILESCCCCC(F)Cc1ccc(C(=NN=Cc2ccccc2CCC)c2ccccc2)cc1
InChIInChI=1S/C29H33FN2/c1-3-5-16-28(30)21-23-17-19-26(20-18-23)29(25-13-7-6-8-14-25)32-31-22-27-15-10-9-12-24(27)11-4-2/h6-10,12-15,17-20,22,28H,3-5,11,16,21H2,1-2H3
InChIKeyDXCSGKKWILWVCT-UHFFFAOYSA-N
MW428.60 g/mol
LogP7.58
Rot. Bonds11

About 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine

1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine (PubChem CID 173276736) has the molecular formula C29H33FN2 and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine
PubChem CID173276736
Molecular FormulaC29H33FN2
Molecular Weight428.60 g/mol
Exact Mass428.26
IUPAC Name1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine
SMILESCCCCC(F)Cc1ccc(C(=NN=Cc2ccccc2CCC)c2ccccc2)cc1
InChIInChI=1S/C29H33FN2/c1-3-5-16-28(30)21-23-17-19-26(20-18-23)29(25-13-7-6-8-14-25)32-31-22-27-15-10-9-12-24(27)11-4-2/h6-10,12-15,17-20,22,28H,3-5,11,16,21H2,1-2H3
InChIKeyDXCSGKKWILWVCT-UHFFFAOYSA-N
XLogP7.58
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-(2-fluoropropyl)phenyl]-N-[(4-hept-6-enylphenyl)methylideneamino]-1-phenylmethanimine
CID 173276645
2-(4-fluorooctyl)phenol
CID 70022648
1,1-diphenyl-N-[[2-(trifluoromethyl)phenyl]methylideneamino]methanimine
CID 2460827
N-[(2-heptylphenyl)methylidene]hydroxylamine
CID 160567988
3-[(benzhydrylidenehydrazinylidene)methyl]benzene-1,2-diol
CID 2127680
3-(2-propylphenyl)-1-(4-tetradecylphenyl)prop-2-ene-1-thione
CID 88620581
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
4-[3-[(4-carboxyphenyl)methyl]-5-(2-hexoxyphenyl)pent-4-enyl]benzoic acid
CID 68660820
benzyl N'-[[2-(butoxymethyl)phenyl]methylideneamino]carbamimidothioate
CID 168611472
2-fluoro-1-phenylhexan-1-one
CID 165359070
1-[(2S)-2-fluoro-5-phenylpentyl]-2-methylbenzene
CID 135061580
1-phenylheptan-3-ol
CID 10420110

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine?
The IUPAC name of 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine (CID 173276736) is 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine.
What is the SMILES notation for 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine?
The canonical SMILES for 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine is CCCCC(F)Cc1ccc(C(=NN=Cc2ccccc2CCC)c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine?
The InChIKey is DXCSGKKWILWVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2/c1-3-5-16-28(30)21-23-17-19-26(20-18-23)29(25-13-7-6-8-14-25)32-31-22-27-15-10-9-12-24(27)11-4-2/h6-10,12-15,17-20,22,28H,3-5,11,16,21H2,1-2H3.
What are the key properties of 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine?
1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine has a molecular weight of 428.60 g/mol, XLogP of 7.58, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorohexyl)phenyl]-1-phenyl-N-[(2-propylphenyl)methylideneamino]methanimine is sourced from PubChem (CID 173276736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).