2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride

C21H21ClN2O — CID 70051222

IUPAC2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H20N2O.ClH/c22-10-9-18-13-23-21-8-7-19(12-20(18)21)24-14-15-5-6-16-3-1-2-4-17(16)11-15;/h1-8,11-13,23H,9-10,14,22H2;1H
InChIKeyUBHBUEDQVADLKZ-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.82
Rot. Bonds5

About 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride

2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride (PubChem CID 70051222) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
PubChem CID70051222
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12
InChIInChI=1S/C21H20N2O.ClH/c22-10-9-18-13-23-21-8-7-19(12-20(18)21)24-14-15-5-6-16-3-1-2-4-17(16)11-15;/h1-8,11-13,23H,9-10,14,22H2;1H
InChIKeyUBHBUEDQVADLKZ-UHFFFAOYSA-N
XLogP4.82
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride (CID 70051222) is 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride is Cl.NCCc1c[nH]c2ccc(OCc3ccc4ccccc4c3)cc12.
What is the InChIKey of 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
The InChIKey is UBHBUEDQVADLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O.ClH/c22-10-9-18-13-23-21-8-7-19(12-20(18)21)24-14-15-5-6-16-3-1-2-4-17(16)11-15;/h1-8,11-13,23H,9-10,14,22H2;1H.
What are the key properties of 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride?
2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 70051222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).