3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride

C17H22ClNO — CID 70676473

IUPAC3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride
SMILESCCCOC(c1ccc2ccccc2c1)C1CNC1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-9-19-17(16-11-18-12-16)15-8-7-13-5-3-4-6-14(13)10-15;/h3-8,10,16-18H,2,9,11-12H2,1H3;1H
InChIKeyJWNKMCJAUXMBAD-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.95
Rot. Bonds5

About 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride

3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride (PubChem CID 70676473) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride
PubChem CID70676473
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride
SMILESCCCOC(c1ccc2ccccc2c1)C1CNC1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-9-19-17(16-11-18-12-16)15-8-7-13-5-3-4-6-14(13)10-15;/h3-8,10,16-18H,2,9,11-12H2,1H3;1H
InChIKeyJWNKMCJAUXMBAD-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride (CID 70676473) is 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride is CCCOC(c1ccc2ccccc2c1)C1CNC1.Cl.
What is the InChIKey of 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride?
The InChIKey is JWNKMCJAUXMBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-9-19-17(16-11-18-12-16)15-8-7-13-5-3-4-6-14(13)10-15;/h3-8,10,16-18H,2,9,11-12H2,1H3;1H.
What are the key properties of 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride?
3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[naphthalen-2-yl(propoxy)methyl]azetidine;hydrochloride is sourced from PubChem (CID 70676473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).