[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride

C19H23Cl2NO3 — CID 24832417

IUPAC[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)OC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H22ClNO3.ClH/c1-14-11-16(20)9-10-17(14)23-13-19(22)24-18(12-21(2)3)15-7-5-4-6-8-15;/h4-11,18H,12-13H2,1-3H3;1H
InChIKeyFKEBAMPCCPGBNL-UHFFFAOYSA-N
MW384.30 g/mol
LogP4.30
Rot. Bonds7

About [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride

[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride (PubChem CID 24832417) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride
PubChem CID24832417
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC Name[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(=O)OC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C19H22ClNO3.ClH/c1-14-11-16(20)9-10-17(14)23-13-19(22)24-18(12-21(2)3)15-7-5-4-6-8-15;/h4-11,18H,12-13H2,1-3H3;1H
InChIKeyFKEBAMPCCPGBNL-UHFFFAOYSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-methylphenyl) 2-(2-methylphenoxy)acetate
CID 19172654
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
3-amino-1-(4-chloro-2-methylphenoxy)-4-hydroxy-4-phenylbutan-2-one
CID 68628442
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
1-[2-(4-chloro-2-methylphenoxy)acetyl]oxypentylphosphonic acid
CID 71724179
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
[1-hydroxy-3-(4-methylpentanoylamino)propan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 156841569
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-2-methylphenoxy)ethanone
CID 4186443
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7779465
2-(4-chloro-2-methylphenoxy)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55384972

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride?
The IUPAC name of [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride (CID 24832417) is [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride.
What is the SMILES notation for [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride?
The canonical SMILES for [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride is Cc1cc(Cl)ccc1OCC(=O)OC(CN(C)C)c1ccccc1.Cl.
What is the InChIKey of [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride?
The InChIKey is FKEBAMPCCPGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3.ClH/c1-14-11-16(20)9-10-17(14)23-13-19(22)24-18(12-21(2)3)15-7-5-4-6-8-15;/h4-11,18H,12-13H2,1-3H3;1H.
What are the key properties of [2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride?
[2-(dimethylamino)-1-phenylethyl] 2-(4-chloro-2-methylphenoxy)acetate;hydrochloride has a molecular weight of 384.30 g/mol, XLogP of 4.30, 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-(4-chloro-2-methylphenoxy)acetate;hydrochloride is sourced from PubChem (CID 24832417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).