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

2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride
CID 45264976
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-[2-(diethylamino)ethyl]-3-phenylbutanedioic acid;hydrochloride
CID 117067436
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
3-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 64567111
4-methyl-2-phenylheptanoic acid
CID 65430207
methyl 3-[bis(2-hydroxyethyl)amino]-2-phenylpropanoate
CID 64565444
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
2-(3-aminophenyl)pentanoic acid
CID 119088607
2-[10-(1-carboxybutyl)anthracen-9-yl]pentanoic acid
CID 151443637
2-[3-[methyl(2-phenylethyl)carbamoyl]phenyl]pentanoic acid
CID 141080062
2-(2-phenylphenyl)pentanoic acid
CID 67565626

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).