1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine

C15H21N3O — CID 117177153

IUPAC1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine
SMILESCCn1c(CN2CCOCC2)cc2cc(N)ccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14(11-17-5-7-19-8-6-17)10-12-9-13(16)3-4-15(12)18/h3-4,9-10H,2,5-8,11,16H2,1H3
InChIKeyOISCCGGNRXACCI-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds3

About 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine

1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine (PubChem CID 117177153) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine.

Molecular Properties

Compound Name1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine
PubChem CID117177153
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine
SMILESCCn1c(CN2CCOCC2)cc2cc(N)ccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14(11-17-5-7-19-8-6-17)10-12-9-13(16)3-4-15(12)18/h3-4,9-10H,2,5-8,11,16H2,1H3
InChIKeyOISCCGGNRXACCI-UHFFFAOYSA-N
XLogP2.08
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The IUPAC name of 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine (CID 117177153) is 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine.
What is the SMILES notation for 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The canonical SMILES for 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine is CCn1c(CN2CCOCC2)cc2cc(N)ccc21.
What is the InChIKey of 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine?
The InChIKey is OISCCGGNRXACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-14(11-17-5-7-19-8-6-17)10-12-9-13(16)3-4-15(12)18/h3-4,9-10H,2,5-8,11,16H2,1H3.
What are the key properties of 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine?
1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(morpholin-4-ylmethyl)indol-5-amine is sourced from PubChem (CID 117177153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).