methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride

C21H25Cl2NO3 — CID 70381407

IUPACmethyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(CCN2CCOC(c3cccc(Cl)c3)C2)cc1.Cl
InChIInChI=1S/C21H24ClNO3.ClH/c1-25-21(24)13-17-7-5-16(6-8-17)9-10-23-11-12-26-20(15-23)18-3-2-4-19(22)14-18;/h2-8,14,20H,9-13,15H2,1H3;1H
InChIKeyRNAWVDGBQLEGQG-UHFFFAOYSA-N
MW410.34 g/mol
LogP4.09
Rot. Bonds6

About methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride

methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride (PubChem CID 70381407) has the molecular formula C21H25Cl2NO3 and a molecular weight of 410.34 g/mol. Its IUPAC name is methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
PubChem CID70381407
Molecular FormulaC21H25Cl2NO3
Molecular Weight410.34 g/mol
Exact Mass409.12
IUPAC Namemethyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(CCN2CCOC(c3cccc(Cl)c3)C2)cc1.Cl
InChIInChI=1S/C21H24ClNO3.ClH/c1-25-21(24)13-17-7-5-16(6-8-17)9-10-23-11-12-26-20(15-23)18-3-2-4-19(22)14-18;/h2-8,14,20H,9-13,15H2,1H3;1H
InChIKeyRNAWVDGBQLEGQG-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chlorophenyl)-4-[2-(1-ethylpyrazol-4-yl)ethyl]morpholine
CID 125142733
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
2-(3-chlorophenyl)-N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]morpholine-4-carboxamide
CID 138032990
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
2-(3-chlorophenyl)-N-[3-(4-methylmorpholin-2-yl)phenyl]acetamide
CID 110720459
3-chloro-N-[4-[(2S)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866535
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803
methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
CID 56878101
[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
CID 142726077
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride (CID 70381407) is methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride is COC(=O)Cc1ccc(CCN2CCOC(c3cccc(Cl)c3)C2)cc1.Cl.
What is the InChIKey of methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride?
The InChIKey is RNAWVDGBQLEGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3.ClH/c1-25-21(24)13-17-7-5-16(6-8-17)9-10-23-11-12-26-20(15-23)18-3-2-4-19(22)14-18;/h2-8,14,20H,9-13,15H2,1H3;1H.
What are the key properties of methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride?
methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride has a molecular weight of 410.34 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride is sourced from PubChem (CID 70381407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).