2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine

C15H25N3 — CID 82163847

IUPAC2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
SMILESCCNCc1ccc2c(c1)CN(CCN(C)C)C2
InChIInChI=1S/C15H25N3/c1-4-16-10-13-5-6-14-11-18(8-7-17(2)3)12-15(14)9-13/h5-6,9,16H,4,7-8,10-12H2,1-3H3
InChIKeyHJCPYGBZGMCHQE-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.67
Rot. Bonds6

About 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine

2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine (PubChem CID 82163847) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
PubChem CID82163847
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine
SMILESCCNCc1ccc2c(c1)CN(CCN(C)C)C2
InChIInChI=1S/C15H25N3/c1-4-16-10-13-5-6-14-11-18(8-7-17(2)3)12-15(14)9-13/h5-6,9,16H,4,7-8,10-12H2,1-3H3
InChIKeyHJCPYGBZGMCHQE-UHFFFAOYSA-N
XLogP1.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine 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 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine (CID 82163847) is 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine is CCNCc1ccc2c(c1)CN(CCN(C)C)C2.
What is the InChIKey of 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
The InChIKey is HJCPYGBZGMCHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-16-10-13-5-6-14-11-18(8-7-17(2)3)12-15(14)9-13/h5-6,9,16H,4,7-8,10-12H2,1-3H3.
What are the key properties of 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine?
2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82163847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).