(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine

C19H21Br2N — CID 70638439

IUPAC(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine
SMILESCCN(CC)C/C(=C/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21Br2N/c1-3-22(4-2)14-17(16-7-11-19(21)12-8-16)13-15-5-9-18(20)10-6-15/h5-13H,3-4,14H2,1-2H3/b17-13-
InChIKeyXWCJGHJAFDNFLT-LGMDPLHJSA-N
MW423.19 g/mol
LogP6.09
Rot. Bonds6

About (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine

(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine (PubChem CID 70638439) has the molecular formula C19H21Br2N and a molecular weight of 423.19 g/mol. Its IUPAC name is (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine
PubChem CID70638439
Molecular FormulaC19H21Br2N
Molecular Weight423.19 g/mol
Exact Mass421.00
IUPAC Name(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine
SMILESCCN(CC)C/C(=C/c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21Br2N/c1-3-22(4-2)14-17(16-7-11-19(21)12-8-16)13-15-5-9-18(20)10-6-15/h5-13H,3-4,14H2,1-2H3/b17-13-
InChIKeyXWCJGHJAFDNFLT-LGMDPLHJSA-N
XLogP6.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.19
LogP ≤ 56.09
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

1-bromo-4-[(1Z,6Z)-7-(4-bromophenyl)-2,6-diphenylhepta-1,6-dienyl]benzene
CID 101013816
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CID 87701938
2-[(4-bromophenyl)methylidene]butan-1-amine
CID 79323672
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
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CID 132550401
4-[2-(4-bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 14065280
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
4-[2-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 54248831
3-(4-bromophenyl)-2-[4-[2-(4-bromophenyl)-1-cyanoethenyl]phenyl]prop-2-enenitrile
CID 4166227
1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene
CID 169094377
ethyl (2Z)-2-[(4-bromophenyl)methylidene]-3-oxobutanoate
CID 5388614

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine?
The IUPAC name of (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine (CID 70638439) is (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine.
What is the SMILES notation for (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine?
The canonical SMILES for (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine is CCN(CC)C/C(=C/c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine?
The InChIKey is XWCJGHJAFDNFLT-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H21Br2N/c1-3-22(4-2)14-17(16-7-11-19(21)12-8-16)13-15-5-9-18(20)10-6-15/h5-13H,3-4,14H2,1-2H3/b17-13-.
What are the key properties of (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine?
(E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine has a molecular weight of 423.19 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(4-bromophenyl)-N,N-diethylprop-2-en-1-amine is sourced from PubChem (CID 70638439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).