N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline

C18H22N2 — CID 103997968

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccc2c(c1)CNC2)c1ccccc1C
InChIInChI=1S/C18H22N2/c1-3-20(18-7-5-4-6-14(18)2)13-15-8-9-16-11-19-12-17(16)10-15/h4-10,19H,3,11-13H2,1-2H3
InChIKeyORDYQTJCJVINQZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.62
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline (PubChem CID 103997968) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
PubChem CID103997968
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline
SMILESCCN(Cc1ccc2c(c1)CNC2)c1ccccc1C
InChIInChI=1S/C18H22N2/c1-3-20(18-7-5-4-6-14(18)2)13-15-8-9-16-11-19-12-17(16)10-15/h4-10,19H,3,11-13H2,1-2H3
InChIKeyORDYQTJCJVINQZ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-methylaniline
CID 63887243
N-[(4-bromo-3-nitrophenyl)methyl]-N-ethyl-2-methylaniline
CID 115557589
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 103998308
1-(3-bromophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylmethanamine
CID 103998127
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 103998409
2,3-dihydro-1H-isoindole;propane
CID 143664117
2-[[2,3-dihydro-1H-isoindol-5-ylmethyl(methyl)amino]methyl]benzenesulfonamide
CID 167991544
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline (CID 103997968) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline is CCN(Cc1ccc2c(c1)CNC2)c1ccccc1C.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline?
The InChIKey is ORDYQTJCJVINQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-20(18-7-5-4-6-14(18)2)13-15-8-9-16-11-19-12-17(16)10-15/h4-10,19H,3,11-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline has a molecular weight of 266.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-ethyl-2-methylaniline is sourced from PubChem (CID 103997968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).