2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

C17H17Cl2NOS — CID 59054295

IUPAC2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.Clc1c(OCCNCc2cccs2)ccc2ccccc12
InChIInChI=1S/C17H16ClNOS.ClH/c18-17-15-6-2-1-4-13(15)7-8-16(17)20-10-9-19-12-14-5-3-11-21-14;/h1-8,11,19H,9-10,12H2;1H
InChIKeyASMROCPAFCQLJH-UHFFFAOYSA-N
MW354.30 g/mol
LogP5.15
Rot. Bonds6

About 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride

2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 59054295) has the molecular formula C17H17Cl2NOS and a molecular weight of 354.30 g/mol. Its IUPAC name is 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
PubChem CID59054295
Molecular FormulaC17H17Cl2NOS
Molecular Weight354.30 g/mol
Exact Mass353.04
IUPAC Name2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.Clc1c(OCCNCc2cccs2)ccc2ccccc12
InChIInChI=1S/C17H16ClNOS.ClH/c18-17-15-6-2-1-4-13(15)7-8-16(17)20-10-9-19-12-14-5-3-11-21-14;/h1-8,11,19H,9-10,12H2;1H
InChIKeyASMROCPAFCQLJH-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
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-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride (CID 59054295) is 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is Cl.Clc1c(OCCNCc2cccs2)ccc2ccccc12.
What is the InChIKey of 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is ASMROCPAFCQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS.ClH/c18-17-15-6-2-1-4-13(15)7-8-16(17)20-10-9-19-12-14-5-3-11-21-14;/h1-8,11,19H,9-10,12H2;1H.
What are the key properties of 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride?
2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 354.30 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloronaphthalen-2-yl)oxy-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 59054295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).