2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride

C16H22ClNO2 — CID 19913635

IUPAC2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)N1CCOC(c2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-16(2,3)17-8-9-18-15(11-17)14-10-12-6-4-5-7-13(12)19-14;/h4-7,10,15H,8-9,11H2,1-3H3;1H
InChIKeyVHNCVXXIGFLRIB-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.03
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride

2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride (PubChem CID 19913635) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride
PubChem CID19913635
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride
SMILESCC(C)(C)N1CCOC(c2cc3ccccc3o2)C1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-16(2,3)17-8-9-18-15(11-17)14-10-12-6-4-5-7-13(12)19-14;/h4-7,10,15H,8-9,11H2,1-3H3;1H
InChIKeyVHNCVXXIGFLRIB-UHFFFAOYSA-N
XLogP4.03
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride?
The IUPAC name of 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride (CID 19913635) is 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride?
The canonical SMILES for 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride is CC(C)(C)N1CCOC(c2cc3ccccc3o2)C1.Cl.
What is the InChIKey of 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride?
The InChIKey is VHNCVXXIGFLRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-16(2,3)17-8-9-18-15(11-17)14-10-12-6-4-5-7-13(12)19-14;/h4-7,10,15H,8-9,11H2,1-3H3;1H.
What are the key properties of 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride?
2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-4-tert-butylmorpholine;hydrochloride is sourced from PubChem (CID 19913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).