[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride

C20H26ClNO3 — CID 131700838

IUPAC[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride
SMILESCCN(CC)CC(OC(=O)COc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-19(17-11-7-5-8-12-17)24-20(22)16-23-18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyMWHAVBLZLGSQAC-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.11
Rot. Bonds9

About [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride

[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride (PubChem CID 131700838) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride.

Molecular Properties

Compound Name[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride
PubChem CID131700838
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride
SMILESCCN(CC)CC(OC(=O)COc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-19(17-11-7-5-8-12-17)24-20(22)16-23-18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyMWHAVBLZLGSQAC-UHFFFAOYSA-N
XLogP4.11
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-1-phenylethyl] 2-phenylacetate;hydrochloride
CID 23615535
[2-(diethylamino)-1-phenylethyl] 4-tert-butylbenzoate;hydrochloride
CID 24835628
propan-2-yl 2-phenoxyacetate
CID 11367560
[(1R)-2-[[(2R)-2-(2-iodoacetyl)oxy-2-phenylethyl]-[(2S)-2-(2-iodoacetyl)oxy-2-phenylethyl]amino]-1-phenylethyl] 2-iodoacetate
CID 88589185
benzhydryl 2-(2-phenoxyacetyl)oxypropanoate
CID 14524948
[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride
CID 24832417
2-(diethylamino)-1-phenylethanol;benzoate;hydrochloride
CID 20976039
N-[4-(diethylamino)butyl]-2-phenoxyacetamide
CID 110442217
N,N-diethyl-2-(4-methylphenoxy)-2-phenylethanamine
CID 117067240
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
1-(diethylamino)propan-2-yl 2-(2-methylphenoxy)acetate
CID 25239325
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride?
The IUPAC name of [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride (CID 131700838) is [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride.
What is the SMILES notation for [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride?
The canonical SMILES for [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride is CCN(CC)CC(OC(=O)COc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride?
The InChIKey is MWHAVBLZLGSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-19(17-11-7-5-8-12-17)24-20(22)16-23-18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H.
What are the key properties of [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride?
[2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-1-phenylethyl] 2-phenoxyacetate;hydrochloride is sourced from PubChem (CID 131700838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).