2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride

C19H33ClN2O2 — CID 23919

IUPAC2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride
SMILESCCN(CC)CC[NH2+]C(C(=O)OCCC(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C19H32N2O2.ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;1H
InChIKeyQQZXGWCAVDVDOT-UHFFFAOYSA-N
MW356.94 g/mol
LogP-0.77
Rot. Bonds11

About 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride

2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride (PubChem CID 23919) has the molecular formula C19H33ClN2O2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride
PubChem CID23919
Molecular FormulaC19H33ClN2O2
Molecular Weight356.94 g/mol
Exact Mass356.22
IUPAC Name2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride
SMILESCCN(CC)CC[NH2+]C(C(=O)OCCC(C)C)c1ccccc1.[Cl-]
InChIInChI=1S/C19H32N2O2.ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;1H
InChIKeyQQZXGWCAVDVDOT-UHFFFAOYSA-N
XLogP-0.77
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride?
The IUPAC name of 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride (CID 23919) is 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride.
What is the SMILES notation for 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride?
The canonical SMILES for 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride is CCN(CC)CC[NH2+]C(C(=O)OCCC(C)C)c1ccccc1.[Cl-].
What is the InChIKey of 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride?
The InChIKey is QQZXGWCAVDVDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2.ClH/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;1H.
What are the key properties of 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride?
2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride has a molecular weight of 356.94 g/mol, XLogP of -0.77, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl-[2-(3-methylbutoxy)-2-oxo-1-phenylethyl]azanium chloride is sourced from PubChem (CID 23919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).