[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride

C19H24ClNO3 — CID 3065816

IUPAC[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-15(22-17-12-8-5-9-13-17)19(21)23-18(14-20(2)3)16-10-6-4-7-11-16;/h4-13,15,18H,14H2,1-3H3;1H
InChIKeyKIQWYIPWPUMNQL-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.72
Rot. Bonds7

About [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride

[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride (PubChem CID 3065816) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride.

Molecular Properties

Compound Name[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
PubChem CID3065816
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
SMILESCC(Oc1ccccc1)C(=O)OC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-15(22-17-12-8-5-9-13-17)19(21)23-18(14-20(2)3)16-10-6-4-7-11-16;/h4-13,15,18H,14H2,1-3H3;1H
InChIKeyKIQWYIPWPUMNQL-UHFFFAOYSA-N
XLogP3.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl(propan-2-yl)amino]-1-phenylethyl] 2-phenoxypropanoate;hydrochloride
CID 3066400
4-(2-phenoxypropanoyloxy)butyl 2-phenoxypropanoate
CID 58999269
(2R)-N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2-phenoxypropanamide
CID 2233791
[2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2,2-diphenylacetate
CID 24834806
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
2-aminoethyl 2-phenoxypropanoate;hydrochloride
CID 174429606
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
2-iodoethyl 2-phenoxypropanoate
CID 21411128
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
(2-phenoxy-2-phenylethyl) (2S)-2-aminopropanoate
CID 145114679
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
CID 8791134
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride (CID 3065816) is [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride.
What is the SMILES notation for [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The canonical SMILES for [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride is CC(Oc1ccccc1)C(=O)OC(CN(C)C)c1ccccc1.Cl.
What is the InChIKey of [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
The InChIKey is KIQWYIPWPUMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3.ClH/c1-15(22-17-12-8-5-9-13-17)19(21)23-18(14-20(2)3)16-10-6-4-7-11-16;/h4-13,15,18H,14H2,1-3H3;1H.
What are the key properties of [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride?
[2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1-phenylethyl] 2-phenoxypropanoate;hydrochloride is sourced from PubChem (CID 3065816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).