(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine

C19H23NO — CID 134945910

IUPAC(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine
SMILESCOCCNC(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-21-16-15-20-19(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-13,19-20H,14-16H2,1H3/b11-8+
InChIKeyVDARRMWSSDQAPS-DHZHZOJOSA-N
MW281.40 g/mol
LogP4.07
Rot. Bonds8

About (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine

(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine (PubChem CID 134945910) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine
PubChem CID134945910
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine
SMILESCOCCNC(C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-21-16-15-20-19(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-13,19-20H,14-16H2,1H3/b11-8+
InChIKeyVDARRMWSSDQAPS-DHZHZOJOSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Iem 1365
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Benzyl-(5-phenyl-pentyl)-amine
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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine (CID 134945910) is (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine is COCCNC(C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine?
The InChIKey is VDARRMWSSDQAPS-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-16-15-20-19(18-12-6-3-7-13-18)14-8-11-17-9-4-2-5-10-17/h2-13,19-20H,14-16H2,1H3/b11-8+.
What are the key properties of (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine?
(E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-1,4-diphenylbut-3-en-1-amine is sourced from PubChem (CID 134945910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).