N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine

C15H24N2O2 — CID 80645613

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc2c1NCC2)OCC
InChIInChI=1S/C15H24N2O2/c1-3-18-14(19-4-2)11-16-10-13-7-5-6-12-8-9-17-15(12)13/h5-7,14,16-17H,3-4,8-11H2,1-2H3
InChIKeyRNHWMQBHWWAONZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds8

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine (PubChem CID 80645613) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
PubChem CID80645613
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cccc2c1NCC2)OCC
InChIInChI=1S/C15H24N2O2/c1-3-18-14(19-4-2)11-16-10-13-7-5-6-12-8-9-17-15(12)13/h5-7,14,16-17H,3-4,8-11H2,1-2H3
InChIKeyRNHWMQBHWWAONZ-UHFFFAOYSA-N
XLogP2.14
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine (CID 80645613) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine is CCOC(CNCc1cccc2c1NCC2)OCC.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine?
The InChIKey is RNHWMQBHWWAONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-18-14(19-4-2)11-16-10-13-7-5-6-12-8-9-17-15(12)13/h5-7,14,16-17H,3-4,8-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine has a molecular weight of 264.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-diethoxyethanamine is sourced from PubChem (CID 80645613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).