(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine

C14H20ClNO — CID 155289958

IUPAC(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccccc2)[C@@H](CCl)CO1
InChIInChI=1S/C14H20ClNO/c1-14(2)11-16(13(8-15)10-17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyFYDYUQRJTBSHOE-ZDUSSCGKSA-N
MW253.77 g/mol
LogP2.90
Rot. Bonds3

About (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine

(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine (PubChem CID 155289958) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine
PubChem CID155289958
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccccc2)[C@@H](CCl)CO1
InChIInChI=1S/C14H20ClNO/c1-14(2)11-16(13(8-15)10-17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyFYDYUQRJTBSHOE-ZDUSSCGKSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11172777
(2S,3S)-1-benzyl-2,3-dimethylazetidin-3-ol
CID 10774084
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
1-benzyl-2,7-bis(chloromethyl)azepane;hydrochloride
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(2R,4R)-1-benzyl-4-tert-butyl-2-(chloromethyl)pyrrolidine
CID 15503448
benzyl (3S)-4-benzyl-6-(iodomethyl)-6-methylmorpholine-3-carboxylate
CID 59337549
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-benzyl-4,4-dimethylpyrrolidine-2-carbaldehyde
CID 174872704
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821

Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine?
The IUPAC name of (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine (CID 155289958) is (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine is CC1(C)CN(Cc2ccccc2)[C@@H](CCl)CO1.
What is the InChIKey of (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine?
The InChIKey is FYDYUQRJTBSHOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-14(2)11-16(13(8-15)10-17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine?
(5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine has a molecular weight of 253.77 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-5-(chloromethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 155289958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).