(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine

C28H23F2N — CID 132850323

IUPAC(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine
SMILESFc1ccccc1/C=C(\c1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H23F2N/c29-26-17-9-7-15-24(26)19-28(25-16-8-10-18-27(25)30)31(20-22-11-3-1-4-12-22)21-23-13-5-2-6-14-23/h1-19H,20-21H2/b28-19+
InChIKeyCXJYTXLAWQGTJH-TURZUDJPSA-N
MW411.50 g/mol
LogP7.17
Rot. Bonds7

About (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine

(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine (PubChem CID 132850323) has the molecular formula C28H23F2N and a molecular weight of 411.50 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine
PubChem CID132850323
Molecular FormulaC28H23F2N
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine
SMILESFc1ccccc1/C=C(\c1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H23F2N/c29-26-17-9-7-15-24(26)19-28(25-16-8-10-18-27(25)30)31(20-22-11-3-1-4-12-22)21-23-13-5-2-6-14-23/h1-19H,20-21H2/b28-19+
InChIKeyCXJYTXLAWQGTJH-TURZUDJPSA-N
XLogP7.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
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(E)-N,N-dibenzyl-1,2-bis(4-methylphenyl)ethenamine
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CID 101349022
CID 101349022
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3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
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N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
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N-benzyl-2-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478220
ethane;2-fluorobenzoic acid
CID 91182768
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
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CID 175257131

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine?
The IUPAC name of (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine (CID 132850323) is (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine.
What is the SMILES notation for (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine?
The canonical SMILES for (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine is Fc1ccccc1/C=C(\c1ccccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine?
The InChIKey is CXJYTXLAWQGTJH-TURZUDJPSA-N. The full InChI is InChI=1S/C28H23F2N/c29-26-17-9-7-15-24(26)19-28(25-16-8-10-18-27(25)30)31(20-22-11-3-1-4-12-22)21-23-13-5-2-6-14-23/h1-19H,20-21H2/b28-19+.
What are the key properties of (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine?
(E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine has a molecular weight of 411.50 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-1,2-bis(2-fluorophenyl)ethenamine is sourced from PubChem (CID 132850323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).