2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride

C17H19ClN2O — CID 2828785

IUPAC2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H18N2O.ClH/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;/h1-7,10-11,19H,8-9,12,18H2;1H
InChIKeyIUWVJCIEWSQGHH-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.67
Rot. Bonds5

About 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride

2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 2828785) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID2828785
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H18N2O.ClH/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;/h1-7,10-11,19H,8-9,12,18H2;1H
InChIKeyIUWVJCIEWSQGHH-UHFFFAOYSA-N
XLogP3.67
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride (CID 2828785) is 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride is Cl.NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is IUWVJCIEWSQGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.ClH/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;/h1-7,10-11,19H,8-9,12,18H2;1H.
What are the key properties of 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride?
2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 2828785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).