1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine

C15H21N3O — CID 117182338

IUPAC1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine
SMILESCCn1cc(CN2CCOCC2)c2cccc(N)c21
InChIInChI=1S/C15H21N3O/c1-2-18-11-12(10-17-6-8-19-9-7-17)13-4-3-5-14(16)15(13)18/h3-5,11H,2,6-10,16H2,1H3
InChIKeyUACYSDMXRLQYLY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.08
Rot. Bonds3

About 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine

1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine (PubChem CID 117182338) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine.

Molecular Properties

Compound Name1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine
PubChem CID117182338
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine
SMILESCCn1cc(CN2CCOCC2)c2cccc(N)c21
InChIInChI=1S/C15H21N3O/c1-2-18-11-12(10-17-6-8-19-9-7-17)13-4-3-5-14(16)15(13)18/h3-5,11H,2,6-10,16H2,1H3
InChIKeyUACYSDMXRLQYLY-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-3-(morpholin-4-ylmethyl)indol-7-amine?
The IUPAC name of 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine (CID 117182338) is 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine.
What is the SMILES notation for 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine?
The canonical SMILES for 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine is CCn1cc(CN2CCOCC2)c2cccc(N)c21.
What is the InChIKey of 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine?
The InChIKey is UACYSDMXRLQYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-11-12(10-17-6-8-19-9-7-17)13-4-3-5-14(16)15(13)18/h3-5,11H,2,6-10,16H2,1H3.
What are the key properties of 1-ethyl-3-(morpholin-4-ylmethyl)indol-7-amine?
1-ethyl-3-(morpholin-4-ylmethyl)indol-7-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-3-(morpholin-4-ylmethyl)indol-7-amine is sourced from PubChem (CID 117182338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).