2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride

C17H30ClNO3 — CID 21117618

IUPAC2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride
SMILESCCCC(C(=O)O)c1ccccc1.CCN(CC)CCO.Cl
InChIInChI=1S/C11H14O2.C6H15NO.ClH/c1-2-6-10(11(12)13)9-7-4-3-5-8-9;1-3-7(4-2)5-6-8;/h3-5,7-8,10H,2,6H2,1H3,(H,12,13);8H,3-6H2,1-2H3;1H
InChIKeyAGFWWYJGEBAYGX-UHFFFAOYSA-N
MW331.88 g/mol
LogP3.40
Rot. Bonds8

About 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride

2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride (PubChem CID 21117618) has the molecular formula C17H30ClNO3 and a molecular weight of 331.88 g/mol. Its IUPAC name is 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride
PubChem CID21117618
Molecular FormulaC17H30ClNO3
Molecular Weight331.88 g/mol
Exact Mass331.19
IUPAC Name2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride
SMILESCCCC(C(=O)O)c1ccccc1.CCN(CC)CCO.Cl
InChIInChI=1S/C11H14O2.C6H15NO.ClH/c1-2-6-10(11(12)13)9-7-4-3-5-8-9;1-3-7(4-2)5-6-8;/h3-5,7-8,10H,2,6H2,1H3,(H,12,13);8H,3-6H2,1-2H3;1H
InChIKeyAGFWWYJGEBAYGX-UHFFFAOYSA-N
XLogP3.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbetapentane
CID 2562
Adiphenine
CID 2031
Cyclopentolate
CID 2905
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Aprofene
CID 71128
Cyclopentolate Hydrochloride
CID 22162
Proadifen
CID 4910
Adiphenine Hydrochloride
CID 5763
Caramiphen
CID 6472
Drofenine
CID 3166
Butamirate
CID 28892

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride?
The IUPAC name of 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride (CID 21117618) is 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride is CCCC(C(=O)O)c1ccccc1.CCN(CC)CCO.Cl.
What is the InChIKey of 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride?
The InChIKey is AGFWWYJGEBAYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C6H15NO.ClH/c1-2-6-10(11(12)13)9-7-4-3-5-8-9;1-3-7(4-2)5-6-8;/h3-5,7-8,10H,2,6H2,1H3,(H,12,13);8H,3-6H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride?
2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride has a molecular weight of 331.88 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride is sourced from PubChem (CID 21117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).