1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride

C16H19ClN2O — CID 45260141

IUPAC1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H18N2O.ClH/c17-16(18-7-9-19-10-8-18)12-13-5-6-14-3-1-2-4-15(14)11-13;/h1-6,11,17H,7-10,12H2;1H/b17-16-;
InChIKeyBKLJPTMBDMAKFJ-XYJRJTJESA-N
MW290.79 g/mol
LogP3.11
Rot. Bonds2

About 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride

1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride (PubChem CID 45260141) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride
PubChem CID45260141
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H18N2O.ClH/c17-16(18-7-9-19-10-8-18)12-13-5-6-14-3-1-2-4-15(14)11-13;/h1-6,11,17H,7-10,12H2;1H/b17-16-;
InChIKeyBKLJPTMBDMAKFJ-XYJRJTJESA-N
XLogP3.11
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride (CID 45260141) is 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride?
The InChIKey is BKLJPTMBDMAKFJ-XYJRJTJESA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c17-16(18-7-9-19-10-8-18)12-13-5-6-14-3-1-2-4-15(14)11-13;/h1-6,11,17H,7-10,12H2;1H/b17-16-;.
What are the key properties of 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride?
1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride is sourced from PubChem (CID 45260141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).