(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine

C19H17Cl2NO — CID 134559931

IUPAC(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(Cl)cc1Cl)Cc1coc2ccccc12
InChIInChI=1S/C19H17Cl2NO/c1-22(10-4-5-14-8-9-16(20)11-18(14)21)12-15-13-23-19-7-3-2-6-17(15)19/h2-9,11,13H,10,12H2,1H3/b5-4+
InChIKeyLBJCWPHVOZNRSH-SNAWJCMRSA-N
MW346.26 g/mol
LogP5.88
Rot. Bonds5

About (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine

(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 134559931) has the molecular formula C19H17Cl2NO and a molecular weight of 346.26 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine
PubChem CID134559931
Molecular FormulaC19H17Cl2NO
Molecular Weight346.26 g/mol
Exact Mass345.07
IUPAC Name(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/c1ccc(Cl)cc1Cl)Cc1coc2ccccc12
InChIInChI=1S/C19H17Cl2NO/c1-22(10-4-5-14-8-9-16(20)11-18(14)21)12-15-13-23-19-7-3-2-6-17(15)19/h2-9,11,13H,10,12H2,1H3/b5-4+
InChIKeyLBJCWPHVOZNRSH-SNAWJCMRSA-N
XLogP5.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.26
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine (CID 134559931) is (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine is CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1coc2ccccc12.
What is the InChIKey of (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is LBJCWPHVOZNRSH-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H17Cl2NO/c1-22(10-4-5-14-8-9-16(20)11-18(14)21)12-15-13-23-19-7-3-2-6-17(15)19/h2-9,11,13H,10,12H2,1H3/b5-4+.
What are the key properties of (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine?
(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 346.26 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 134559931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).