N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine

C18H27N3O — CID 709293

IUPACN,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
SMILESCc1ccc2[nH]c(CCN(C)C)c(CN3CCOCC3)c2c1
InChIInChI=1S/C18H27N3O/c1-14-4-5-17-15(12-14)16(13-21-8-10-22-11-9-21)18(19-17)6-7-20(2)3/h4-5,12,19H,6-11,13H2,1-3H3
InChIKeyNUNKRPLHRNCPSY-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.41
Rot. Bonds5

About N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine

N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine (PubChem CID 709293) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
PubChem CID709293
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine
SMILESCc1ccc2[nH]c(CCN(C)C)c(CN3CCOCC3)c2c1
InChIInChI=1S/C18H27N3O/c1-14-4-5-17-15(12-14)16(13-21-8-10-22-11-9-21)18(19-17)6-7-20(2)3/h4-5,12,19H,6-11,13H2,1-3H3
InChIKeyNUNKRPLHRNCPSY-UHFFFAOYSA-N
XLogP2.41
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine (CID 709293) is N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine is Cc1ccc2[nH]c(CCN(C)C)c(CN3CCOCC3)c2c1.
What is the InChIKey of N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine?
The InChIKey is NUNKRPLHRNCPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-4-5-17-15(12-14)16(13-21-8-10-22-11-9-21)18(19-17)6-7-20(2)3/h4-5,12,19H,6-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine?
N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine has a molecular weight of 301.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-methyl-3-(morpholin-4-ylmethyl)-1H-indol-2-yl]ethanamine is sourced from PubChem (CID 709293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).