N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine

C15H24N2O — CID 103998308

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H24N2O/c1-3-17(7-8-18-4-2)12-13-5-6-14-10-16-11-15(14)9-13/h5-6,9,16H,3-4,7-8,10-12H2,1-2H3
InChIKeyHORMZRKOIUZAEP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds7

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine (PubChem CID 103998308) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
PubChem CID103998308
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
SMILESCCOCCN(CC)Cc1ccc2c(c1)CNC2
InChIInChI=1S/C15H24N2O/c1-3-17(7-8-18-4-2)12-13-5-6-14-10-16-11-15(14)9-13/h5-6,9,16H,3-4,7-8,10-12H2,1-2H3
InChIKeyHORMZRKOIUZAEP-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 55227894
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
CID 63697878
[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]boronic acid
CID 63692817
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylethanamine
CID 103998390
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65343894
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 63690912
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
2-ethoxy-N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 63690883
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
CID 103997968

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine (CID 103998308) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine is CCOCCN(CC)Cc1ccc2c(c1)CNC2.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is HORMZRKOIUZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-17(7-8-18-4-2)12-13-5-6-14-10-16-11-15(14)9-13/h5-6,9,16H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 103998308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).