(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C13H15Cl2NO2 — CID 7724523

IUPAC(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C13H15Cl2NO2/c1-8-6-16(7-9(2)18-8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyKCFCEINNGNFERE-IUCAKERBSA-N
MW288.17 g/mol
LogP3.24
Rot. Bonds1

About (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 7724523) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID7724523
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C13H15Cl2NO2/c1-8-6-16(7-9(2)18-8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyKCFCEINNGNFERE-IUCAKERBSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
CID 102937906
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[3-[(3,4-dichlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8815293
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 7724523) is (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KCFCEINNGNFERE-IUCAKERBSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-8-6-16(7-9(2)18-8)13(17)10-3-4-11(14)12(15)5-10/h3-5,8-9H,6-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 288.17 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 7724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).