3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine

C14H23N3O — CID 70930073

IUPAC3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine
SMILESCOCCn1cc(CN(C)C)c2c1=CC(N)CC=2
InChIInChI=1S/C14H23N3O/c1-16(2)9-11-10-17(6-7-18-3)14-8-12(15)4-5-13(11)14/h5,8,10,12H,4,6-7,9,15H2,1-3H3
InChIKeyFWKYEELBULIEDG-UHFFFAOYSA-N
MW249.36 g/mol
LogP-0.51
Rot. Bonds5

About 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine

3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine (PubChem CID 70930073) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine
PubChem CID70930073
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine
SMILESCOCCn1cc(CN(C)C)c2c1=CC(N)CC=2
InChIInChI=1S/C14H23N3O/c1-16(2)9-11-10-17(6-7-18-3)14-8-12(15)4-5-13(11)14/h5,8,10,12H,4,6-7,9,15H2,1-3H3
InChIKeyFWKYEELBULIEDG-UHFFFAOYSA-N
XLogP-0.51
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine (CID 70930073) is 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine is COCCn1cc(CN(C)C)c2c1=CC(N)CC=2.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine?
The InChIKey is FWKYEELBULIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)9-11-10-17(6-7-18-3)14-8-12(15)4-5-13(11)14/h5,8,10,12H,4,6-7,9,15H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine?
3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine has a molecular weight of 249.36 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-(2-methoxyethyl)-5,6-dihydroindol-6-amine is sourced from PubChem (CID 70930073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).