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

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Related Compounds

3-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82163833
4-[5-(ethylaminomethyl)-1,3-dihydroisoindol-2-yl]-N,N-dimethylbutan-1-amine
CID 82163845
N-[[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163851
N-[[2-(2-methylpropyl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163806
N-[[2-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-5-yl]methyl]ethanamine
CID 82163854
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
4-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]butan-1-ol
CID 82163786
5-[5-(methylaminomethyl)-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 82163784
N',N'-dimethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethane-1,2-diamine
CID 62072227
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
1-[2-[2-(4-fluorophenyl)ethyl]-1,3-dihydroisoindol-5-yl]-N-methylmethanamine
CID 82163795
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608

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).