3-benzyl-4-methylmorpholine;ethane

C16H29NO — CID 168940239

IUPAC3-benzyl-4-methylmorpholine;ethane
SMILESCC.CC.CN1CCOCC1Cc1ccccc1
InChIInChI=1S/C12H17NO.2C2H6/c1-13-7-8-14-10-12(13)9-11-5-3-2-4-6-11;2*1-2/h2-6,12H,7-10H2,1H3;2*1-2H3
InChIKeyVBNBJSRMQJGHIY-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.61
Rot. Bonds2

About 3-benzyl-4-methylmorpholine;ethane

3-benzyl-4-methylmorpholine;ethane (PubChem CID 168940239) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-benzyl-4-methylmorpholine;ethane.

Molecular Properties

Compound Name3-benzyl-4-methylmorpholine;ethane
PubChem CID168940239
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-benzyl-4-methylmorpholine;ethane
SMILESCC.CC.CN1CCOCC1Cc1ccccc1
InChIInChI=1S/C12H17NO.2C2H6/c1-13-7-8-14-10-12(13)9-11-5-3-2-4-6-11;2*1-2/h2-6,12H,7-10H2,1H3;2*1-2H3
InChIKeyVBNBJSRMQJGHIY-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
(2R)-2-benzyl-1-methylaziridine
CID 87174257
3-benzyl-4-propylsulfonylmorpholine
CID 110749966
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-[(3S)-3-benzylmorpholin-4-yl]prop-2-en-1-one
CID 14320533
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
(3S)-3-ethyl-4-methylmorpholine
CID 130351596
(2S)-2-benzyl-3-methyl-1,3-oxazinane
CID 89089139
(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
CID 10545000

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methylmorpholine;ethane?
The IUPAC name of 3-benzyl-4-methylmorpholine;ethane (CID 168940239) is 3-benzyl-4-methylmorpholine;ethane.
What is the SMILES notation for 3-benzyl-4-methylmorpholine;ethane?
The canonical SMILES for 3-benzyl-4-methylmorpholine;ethane is CC.CC.CN1CCOCC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methylmorpholine;ethane?
The InChIKey is VBNBJSRMQJGHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2C2H6/c1-13-7-8-14-10-12(13)9-11-5-3-2-4-6-11;2*1-2/h2-6,12H,7-10H2,1H3;2*1-2H3.
What are the key properties of 3-benzyl-4-methylmorpholine;ethane?
3-benzyl-4-methylmorpholine;ethane has a molecular weight of 251.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methylmorpholine;ethane is sourced from PubChem (CID 168940239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).