2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine

C18H19N3 — CID 142958747

IUPAC2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine
SMILESC/C(=N\CCN)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-14(20-12-11-19)18-13-15-7-5-6-10-17(15)21(18)16-8-3-2-4-9-16/h2-10,13H,11-12,19H2,1H3/b20-14+
InChIKeyXWKDCZPSGVSBNA-XSFVSMFZSA-N
MW277.37 g/mol
LogP3.40
Rot. Bonds4

About 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine

2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine (PubChem CID 142958747) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine.

Molecular Properties

Compound Name2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine
PubChem CID142958747
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine
SMILESC/C(=N\CCN)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-14(20-12-11-19)18-13-15-7-5-6-10-17(15)21(18)16-8-3-2-4-9-16/h2-10,13H,11-12,19H2,1H3/b20-14+
InChIKeyXWKDCZPSGVSBNA-XSFVSMFZSA-N
XLogP3.40
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine?
The IUPAC name of 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine (CID 142958747) is 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine.
What is the SMILES notation for 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine?
The canonical SMILES for 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine is C/C(=N\CCN)c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine?
The InChIKey is XWKDCZPSGVSBNA-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H19N3/c1-14(20-12-11-19)18-13-15-7-5-6-10-17(15)21(18)16-8-3-2-4-9-16/h2-10,13H,11-12,19H2,1H3/b20-14+.
What are the key properties of 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine?
2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenylindol-2-yl)ethylideneamino]ethanamine is sourced from PubChem (CID 142958747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).