[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride

C13H17Cl3N2O3 — CID 23089205

IUPAC[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)OC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.Cl
InChIInChI=1S/C13H16Cl2N2O3.ClH/c1-16-13(18)20-12-8-17(4-5-19-12)7-9-2-3-10(14)11(15)6-9;/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,18);1H
InChIKeyWBFIBHODTMRXLY-UHFFFAOYSA-N
MW355.65 g/mol
LogP2.93
Rot. Bonds3

About [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride (PubChem CID 23089205) has the molecular formula C13H17Cl3N2O3 and a molecular weight of 355.65 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride
PubChem CID23089205
Molecular FormulaC13H17Cl3N2O3
Molecular Weight355.65 g/mol
Exact Mass354.03
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride
SMILESCNC(=O)OC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.Cl
InChIInChI=1S/C13H16Cl2N2O3.ClH/c1-16-13(18)20-12-8-17(4-5-19-12)7-9-2-3-10(14)11(15)6-9;/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,18);1H
InChIKeyWBFIBHODTMRXLY-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.65
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethoxy]benzoic acid
CID 68964587
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
CID 102352345
(2S)-4-[(4-chloro-3-methylphenyl)methyl]-N-methylmorpholin-2-amine
CID 68963378
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-enylurea
CID 10109024

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride (CID 23089205) is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride is CNC(=O)OC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.Cl.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride?
The InChIKey is WBFIBHODTMRXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3.ClH/c1-16-13(18)20-12-8-17(4-5-19-12)7-9-2-3-10(14)11(15)6-9;/h2-3,6,12H,4-5,7-8H2,1H3,(H,16,18);1H.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride?
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride has a molecular weight of 355.65 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride is sourced from PubChem (CID 23089205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).