2-methyl-6-pentan-3-yl-2-phenylmorpholine

C16H25NO — CID 106288436

IUPAC2-methyl-6-pentan-3-yl-2-phenylmorpholine
SMILESCCC(CC)C1CNCC(C)(c2ccccc2)O1
InChIInChI=1S/C16H25NO/c1-4-13(5-2)15-11-17-12-16(3,18-15)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyUPYZMOFBNPTZFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.33
Rot. Bonds4

About 2-methyl-6-pentan-3-yl-2-phenylmorpholine

2-methyl-6-pentan-3-yl-2-phenylmorpholine (PubChem CID 106288436) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-6-pentan-3-yl-2-phenylmorpholine.

Molecular Properties

Compound Name2-methyl-6-pentan-3-yl-2-phenylmorpholine
PubChem CID106288436
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-6-pentan-3-yl-2-phenylmorpholine
SMILESCCC(CC)C1CNCC(C)(c2ccccc2)O1
InChIInChI=1S/C16H25NO/c1-4-13(5-2)15-11-17-12-16(3,18-15)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3
InChIKeyUPYZMOFBNPTZFI-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pentan-3-yl-1-oxa-4-azaspiro[5.5]undecane
CID 65213286
2-methyl-2-phenylmorpholine;hydrochloride
CID 3066036
(2S,4R)-4-methyl-2-(2-methylpropyl)-4-phenyl-1,3-dioxolane
CID 134967526
2-but-1-en-2-yl-4-methyl-4-phenyl-1,3-dioxolane
CID 70412034
(2S)-2-methyl-2-phenyloxirane
CID 11629614
2-(1-phenylpropyl)morpholine
CID 70531832
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
4-methyl-4-phenylpyrrolidine-3-carboxylic acid
CID 63940767
(1S,5R,6S)-6-methyl-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 130763524
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentan-3-yl-2-phenylmorpholine?
The IUPAC name of 2-methyl-6-pentan-3-yl-2-phenylmorpholine (CID 106288436) is 2-methyl-6-pentan-3-yl-2-phenylmorpholine.
What is the SMILES notation for 2-methyl-6-pentan-3-yl-2-phenylmorpholine?
The canonical SMILES for 2-methyl-6-pentan-3-yl-2-phenylmorpholine is CCC(CC)C1CNCC(C)(c2ccccc2)O1.
What is the InChIKey of 2-methyl-6-pentan-3-yl-2-phenylmorpholine?
The InChIKey is UPYZMOFBNPTZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13(5-2)15-11-17-12-16(3,18-15)14-9-7-6-8-10-14/h6-10,13,15,17H,4-5,11-12H2,1-3H3.
What are the key properties of 2-methyl-6-pentan-3-yl-2-phenylmorpholine?
2-methyl-6-pentan-3-yl-2-phenylmorpholine has a molecular weight of 247.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentan-3-yl-2-phenylmorpholine is sourced from PubChem (CID 106288436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).