4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine

C17H24N2O — CID 117185177

IUPAC4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
SMILESCc1ccc2c(c1)c(CN1CCOCC1)cn2C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)19-12-15(11-18-6-8-20-9-7-18)16-10-14(3)4-5-17(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyFLYNWPZFKJNMKK-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.36
Rot. Bonds3

About 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine

4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine (PubChem CID 117185177) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
PubChem CID117185177
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
SMILESCc1ccc2c(c1)c(CN1CCOCC1)cn2C(C)C
InChIInChI=1S/C17H24N2O/c1-13(2)19-12-15(11-18-6-8-20-9-7-18)16-10-14(3)4-5-17(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyFLYNWPZFKJNMKK-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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Related Compounds

5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
5-methyl-3-(2-piperazin-1-ylethyl)-1-propan-2-ylindole
CID 83949058
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
CID 115006226
1-methyl-3-(morpholin-4-ylmethyl)indole-5-carboxylic acid
CID 117175278
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine (CID 117185177) is 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine is Cc1ccc2c(c1)c(CN1CCOCC1)cn2C(C)C.
What is the InChIKey of 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine?
The InChIKey is FLYNWPZFKJNMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)19-12-15(11-18-6-8-20-9-7-18)16-10-14(3)4-5-17(16)19/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine?
4-[(5-methyl-1-propan-2-ylindol-3-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-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine is sourced from PubChem (CID 117185177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).