N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine

C18H28N2O — CID 107911088

IUPACN-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCC3CCCCN3C)cccc21
InChIInChI=1S/C18H28N2O/c1-19-17-10-9-16-15(17)7-5-8-18(16)21-13-11-14-6-3-4-12-20(14)2/h5,7-8,14,17,19H,3-4,6,9-13H2,1-2H3
InChIKeyNJFFFHNSTWAKBS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine

N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107911088) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107911088
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCC3CCCCN3C)cccc21
InChIInChI=1S/C18H28N2O/c1-19-17-10-9-16-15(17)7-5-8-18(16)21-13-11-14-6-3-4-12-20(14)2/h5,7-8,14,17,19H,3-4,6,9-13H2,1-2H3
InChIKeyNJFFFHNSTWAKBS-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 107912816
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
CID 114471642
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (CID 107911088) is N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCCC3CCCCN3C)cccc21.
What is the InChIKey of N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NJFFFHNSTWAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-17-10-9-16-15(17)7-5-8-18(16)21-13-11-14-6-3-4-12-20(14)2/h5,7-8,14,17,19H,3-4,6,9-13H2,1-2H3.
What are the key properties of N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107911088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).