(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine

C27H25NO — CID 134559949

IUPAC(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
SMILESCN(C/C=C/C=C/c1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12
InChIInChI=1S/C27H25NO/c1-28(20-25-21-29-27-14-8-7-13-26(25)27)19-9-3-4-10-22-15-17-24(18-16-22)23-11-5-2-6-12-23/h2-18,21H,19-20H2,1H3/b9-3+,10-4+
InChIKeyWKLJBRLUCKGURS-LQIBPGRFSA-N
MW379.50 g/mol
LogP6.80
Rot. Bonds7

About (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine

(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine (PubChem CID 134559949) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
PubChem CID134559949
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
SMILESCN(C/C=C/C=C/c1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12
InChIInChI=1S/C27H25NO/c1-28(20-25-21-29-27-14-8-7-13-26(25)27)19-9-3-4-10-22-15-17-24(18-16-22)23-11-5-2-6-12-23/h2-18,21H,19-20H2,1H3/b9-3+,10-4+
InChIKeyWKLJBRLUCKGURS-LQIBPGRFSA-N
XLogP6.80
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
CID 142355183
N-(1-benzofuran-3-ylmethyl)-N-methyl-3-(4-phenylphenyl)prop-2-yn-1-amine
CID 134559970
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
CID 134559936
(E)-N-(1-benzofuran-4-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 127048961
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
(2E,4E)-N-methyl-5-phenyl-N-(trimethylsilylmethyl)penta-2,4-dien-1-amine
CID 10777705
1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 80702542
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine (CID 134559949) is (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine is CN(C/C=C/C=C/c1ccc(-c2ccccc2)cc1)Cc1coc2ccccc12.
What is the InChIKey of (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The InChIKey is WKLJBRLUCKGURS-LQIBPGRFSA-N. The full InChI is InChI=1S/C27H25NO/c1-28(20-25-21-29-27-14-8-7-13-26(25)27)19-9-3-4-10-22-15-17-24(18-16-22)23-11-5-2-6-12-23/h2-18,21H,19-20H2,1H3/b9-3+,10-4+.
What are the key properties of (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine has a molecular weight of 379.50 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 134559949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).