2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine

C17H24N2O — CID 116622956

IUPAC2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccc2c(ccn2CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C17H24N2O/c1-13(2)18-8-9-20-16(11-18)12-19-7-6-15-10-14(3)4-5-17(15)19/h4-7,10,13,16H,8-9,11-12H2,1-3H3
InChIKeyKEGVUIXLZORACJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds3

About 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine

2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 116622956) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID116622956
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
SMILESCc1ccc2c(ccn2CC2CN(C(C)C)CCO2)c1
InChIInChI=1S/C17H24N2O/c1-13(2)18-8-9-20-16(11-18)12-19-7-6-15-10-14(3)4-5-17(15)19/h4-7,10,13,16H,8-9,11-12H2,1-3H3
InChIKeyKEGVUIXLZORACJ-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine (CID 116622956) is 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine is Cc1ccc2c(ccn2CC2CN(C(C)C)CCO2)c1.
What is the InChIKey of 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is KEGVUIXLZORACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)18-8-9-20-16(11-18)12-19-7-6-15-10-14(3)4-5-17(15)19/h4-7,10,13,16H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine?
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 272.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 116622956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).