2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium

C17H21ClNO2+ — CID 2300272

IUPAC2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESClc1ccc(OCC[NH2+]C[C@H]2CCCO2)c2ccccc12
InChIInChI=1S/C17H20ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-19-12-13-4-3-10-20-13/h1-2,5-8,13,19H,3-4,9-12H2/p+1/t13-/m1/s1
InChIKeyGKSQBUOGEYALMY-CYBMUJFWSA-O
MW306.81 g/mol
LogP2.61
Rot. Bonds6

About 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium

2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 2300272) has the molecular formula C17H21ClNO2+ and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID2300272
Molecular FormulaC17H21ClNO2+
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESClc1ccc(OCC[NH2+]C[C@H]2CCCO2)c2ccccc12
InChIInChI=1S/C17H20ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-19-12-13-4-3-10-20-13/h1-2,5-8,13,19H,3-4,9-12H2/p+1/t13-/m1/s1
InChIKeyGKSQBUOGEYALMY-CYBMUJFWSA-O
XLogP2.61
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 2300272) is 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium is Clc1ccc(OCC[NH2+]C[C@H]2CCCO2)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is GKSQBUOGEYALMY-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H20ClNO2/c18-16-7-8-17(15-6-2-1-5-14(15)16)21-11-9-19-12-13-4-3-10-20-13/h1-2,5-8,13,19H,3-4,9-12H2/p+1/t13-/m1/s1.
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium?
2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 306.81 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxyethyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 2300272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).