2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine

C21H35NO — CID 2168

IUPAC2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
SMILESCCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3
InChIKeyMQHLMHIZUIDKOO-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.66
Rot. Bonds6

About 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine

2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine (PubChem CID 2168) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
PubChem CID2168
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
SMILESCCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3
InChIKeyMQHLMHIZUIDKOO-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpropimorph
CID 93365
Fenpropidin
CID 91694
Amorolfine
CID 54260
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
(S)-cis-fenpropimorph
CID 11833620
Amorolfine hydrochloride
CID 54259
1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
Morpholine, 4-(2-phenylethyl)-
CID 411956
2-(4-Ethylphenyl)-1-(morpholin-4-yl)ethanethione
CID 270304

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine (CID 2168) is 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine is CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The InChIKey is MQHLMHIZUIDKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,16-18H,7,12-15H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine has a molecular weight of 317.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 2168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).