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

C27H27NO — CID 176731854

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
SMILESCN(CC=CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C27H27NO/c1-28(21-23-13-16-27-26(20-23)17-19-29-27)18-7-3-4-8-22-11-14-25(15-12-22)24-9-5-2-6-10-24/h2-16,20H,17-19,21H2,1H3
InChIKeyZVXAGIVIFBRDCO-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.99
Rot. Bonds7

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

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine (PubChem CID 176731854) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
PubChem CID176731854
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
SMILESCN(CC=CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C27H27NO/c1-28(21-23-13-16-27-26(20-23)17-19-29-27)18-7-3-4-8-22-11-14-25(15-12-22)24-9-5-2-6-10-24/h2-16,20H,17-19,21H2,1H3
InChIKeyZVXAGIVIFBRDCO-UHFFFAOYSA-N
XLogP5.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.99
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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-3-phenylprop-2-en-1-amine
CID 176731852
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(4-phenylphenyl)-N-propan-2-ylprop-2-en-1-amine
CID 176731867
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 134559949
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 176731872
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-methyl-3-(4-methylphenyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731750
N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 176731839
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
3-(4-fluorophenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731749
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220019

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine (CID 176731854) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine is CN(CC=CC=Cc1ccc(-c2ccccc2)cc1)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
The InChIKey is ZVXAGIVIFBRDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-28(21-23-13-16-27-26(20-23)17-19-29-27)18-7-3-4-8-22-11-14-25(15-12-22)24-9-5-2-6-10-24/h2-16,20H,17-19,21H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine has a molecular weight of 381.52 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 176731854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).