4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine

C17H24N2O — CID 117184909

IUPAC4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
SMILESCc1cccc2c1cc(CN1CCOCC1)n2C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)19-15(12-18-7-9-20-10-8-18)11-16-14(3)5-4-6-17(16)19/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyYRPRVADFJUZHDL-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.36
Rot. Bonds3

About 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine

4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine (PubChem CID 117184909) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
PubChem CID117184909
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
SMILESCc1cccc2c1cc(CN1CCOCC1)n2C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)19-15(12-18-7-9-20-10-8-18)11-16-14(3)5-4-6-17(16)19/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyYRPRVADFJUZHDL-UHFFFAOYSA-N
XLogP3.36
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine (CID 117184909) is 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine is Cc1cccc2c1cc(CN1CCOCC1)n2C(C)C.
What is the InChIKey of 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine?
The InChIKey is YRPRVADFJUZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)19-15(12-18-7-9-20-10-8-18)11-16-14(3)5-4-6-17(16)19/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine?
4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine has a molecular weight of 272.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine is sourced from PubChem (CID 117184909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).