2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

C17H20ClN3O — CID 23724301

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc2[nH]cc(CCNCc3cccnc3)c2c1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-21-15-4-5-17-16(9-15)14(12-20-17)6-8-19-11-13-3-2-7-18-10-13;/h2-5,7,9-10,12,19-20H,6,8,11H2,1H3;1H
InChIKeyTYUZXPMBGNYCJC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.33
Rot. Bonds6

About 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 23724301) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID23724301
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc2[nH]cc(CCNCc3cccnc3)c2c1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-21-15-4-5-17-16(9-15)14(12-20-17)6-8-19-11-13-3-2-7-18-10-13;/h2-5,7,9-10,12,19-20H,6,8,11H2,1H3;1H
InChIKeyTYUZXPMBGNYCJC-UHFFFAOYSA-N
XLogP3.33
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (CID 23724301) is 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is COc1ccc2[nH]cc(CCNCc3cccnc3)c2c1.Cl.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is TYUZXPMBGNYCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.ClH/c1-21-15-4-5-17-16(9-15)14(12-20-17)6-8-19-11-13-3-2-7-18-10-13;/h2-5,7,9-10,12,19-20H,6,8,11H2,1H3;1H.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 23724301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).