N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride

C16H19ClN2O — CID 2770995

IUPACN-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCc1[nH]c2ccccc2c1CCNCc1ccco1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyYRIYQVLKPDIWJB-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.82
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride

N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride (PubChem CID 2770995) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
PubChem CID2770995
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride
SMILESCc1[nH]c2ccccc2c1CCNCc1ccco1.Cl
InChIInChI=1S/C16H18N2O.ClH/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13;/h2-7,10,17-18H,8-9,11H2,1H3;1H
InChIKeyYRIYQVLKPDIWJB-UHFFFAOYSA-N
XLogP3.82
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride (CID 2770995) is N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride is Cc1[nH]c2ccccc2c1CCNCc1ccco1.Cl.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride?
The InChIKey is YRIYQVLKPDIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c1-12-14(15-6-2-3-7-16(15)18-12)8-9-17-11-13-5-4-10-19-13;/h2-7,10,17-18H,8-9,11H2,1H3;1H.
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride?
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 2770995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).