(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine

C13H15Cl2NO — CID 102352345

IUPAC(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
SMILESC=C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C13H15Cl2NO/c1-2-11-9-16(5-6-17-11)8-10-3-4-12(14)13(15)7-10/h2-4,7,11H,1,5-6,8-9H2/t11-/m0/s1
InChIKeyAZGKPUKNDVWCLI-NSHDSACASA-N
MW272.18 g/mol
LogP3.38
Rot. Bonds3

About (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine

(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine (PubChem CID 102352345) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
PubChem CID102352345
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
SMILESC=C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C13H15Cl2NO/c1-2-11-9-16(5-6-17-11)8-10-3-4-12(14)13(15)7-10/h2-4,7,11H,1,5-6,8-9H2/t11-/m0/s1
InChIKeyAZGKPUKNDVWCLI-NSHDSACASA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
1-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-enylurea
CID 10109024
1-[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490139
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74234750
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl] N-methylcarbamate;hydrochloride
CID 23089205

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine?
The IUPAC name of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine (CID 102352345) is (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine.
What is the SMILES notation for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine?
The canonical SMILES for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine is C=C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine?
The InChIKey is AZGKPUKNDVWCLI-NSHDSACASA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-11-9-16(5-6-17-11)8-10-3-4-12(14)13(15)7-10/h2-4,7,11H,1,5-6,8-9H2/t11-/m0/s1.
What are the key properties of (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine?
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine has a molecular weight of 272.18 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine is sourced from PubChem (CID 102352345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).