1-indol-1-yl-1-phenylbut-3-en-1-amine

C18H18N2 — CID 70410814

IUPAC1-indol-1-yl-1-phenylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H18N2/c1-2-13-18(19,16-9-4-3-5-10-16)20-14-12-15-8-6-7-11-17(15)20/h2-12,14H,1,13,19H2
InChIKeyYGOASLQHELCEPY-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.88
Rot. Bonds4

About 1-indol-1-yl-1-phenylbut-3-en-1-amine

1-indol-1-yl-1-phenylbut-3-en-1-amine (PubChem CID 70410814) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-indol-1-yl-1-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name1-indol-1-yl-1-phenylbut-3-en-1-amine
PubChem CID70410814
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1-indol-1-yl-1-phenylbut-3-en-1-amine
SMILESC=CCC(N)(c1ccccc1)n1ccc2ccccc21
InChIInChI=1S/C18H18N2/c1-2-13-18(19,16-9-4-3-5-10-16)20-14-12-15-8-6-7-11-17(15)20/h2-12,14H,1,13,19H2
InChIKeyYGOASLQHELCEPY-UHFFFAOYSA-N
XLogP3.88
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-1-phenylbut-3-en-1-amine?
The IUPAC name of 1-indol-1-yl-1-phenylbut-3-en-1-amine (CID 70410814) is 1-indol-1-yl-1-phenylbut-3-en-1-amine.
What is the SMILES notation for 1-indol-1-yl-1-phenylbut-3-en-1-amine?
The canonical SMILES for 1-indol-1-yl-1-phenylbut-3-en-1-amine is C=CCC(N)(c1ccccc1)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-1-phenylbut-3-en-1-amine?
The InChIKey is YGOASLQHELCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-13-18(19,16-9-4-3-5-10-16)20-14-12-15-8-6-7-11-17(15)20/h2-12,14H,1,13,19H2.
What are the key properties of 1-indol-1-yl-1-phenylbut-3-en-1-amine?
1-indol-1-yl-1-phenylbut-3-en-1-amine has a molecular weight of 262.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-1-phenylbut-3-en-1-amine is sourced from PubChem (CID 70410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).