3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine

C16H22N2O — CID 82300706

IUPAC3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
SMILESCc1[nH]c2ccccc2c1C1OCC(C)(C)NC1C
InChIInChI=1S/C16H22N2O/c1-10-14(12-7-5-6-8-13(12)17-10)15-11(2)18-16(3,4)9-19-15/h5-8,11,15,17-18H,9H2,1-4H3
InChIKeyWRLLNEADBYXTEU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.30
Rot. Bonds1

About 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine

3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine (PubChem CID 82300706) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine.

Molecular Properties

Compound Name3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
PubChem CID82300706
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine
SMILESCc1[nH]c2ccccc2c1C1OCC(C)(C)NC1C
InChIInChI=1S/C16H22N2O/c1-10-14(12-7-5-6-8-13(12)17-10)15-11(2)18-16(3,4)9-19-15/h5-8,11,15,17-18H,9H2,1-4H3
InChIKeyWRLLNEADBYXTEU-UHFFFAOYSA-N
XLogP3.30
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
CID 82294419
3-(3,3-dimethyloxiran-2-yl)-2-methyl-1H-indole
CID 116864052
3-(aziridin-2-yl)-2-methyl-1H-indole
CID 82468105
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
2-methyl-3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 29442
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
2-methyl-3-[(2S)-piperazin-2-yl]-1H-indole
CID 95441892
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
6-(2-methyl-1H-indol-3-yl)-3-phenyl-4,6-dihydro-1H-1,2,4-triazin-5-one
CID 135522036
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine?
The IUPAC name of 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine (CID 82300706) is 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine.
What is the SMILES notation for 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine?
The canonical SMILES for 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine is Cc1[nH]c2ccccc2c1C1OCC(C)(C)NC1C.
What is the InChIKey of 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine?
The InChIKey is WRLLNEADBYXTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-14(12-7-5-6-8-13(12)17-10)15-11(2)18-16(3,4)9-19-15/h5-8,11,15,17-18H,9H2,1-4H3.
What are the key properties of 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine?
3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine has a molecular weight of 258.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2-(2-methyl-1H-indol-3-yl)morpholine is sourced from PubChem (CID 82300706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).