N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine

C18H21NO2 — CID 63091176

IUPACN-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCOc3ccccc3)cccc21
InChIInChI=1S/C18H21NO2/c1-19-17-11-10-16-15(17)8-5-9-18(16)21-13-12-20-14-6-3-2-4-7-14/h2-9,17,19H,10-13H2,1H3
InChIKeySQWWLWVGAOCAHD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine

N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091176) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID63091176
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCOc3ccccc3)cccc21
InChIInChI=1S/C18H21NO2/c1-19-17-11-10-16-15(17)8-5-9-18(16)21-13-12-20-14-6-3-2-4-7-14/h2-9,17,19H,10-13H2,1H3
InChIKeySQWWLWVGAOCAHD-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.35
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

4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
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
N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107911088
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine (CID 63091176) is N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCCOc3ccccc3)cccc21.
What is the InChIKey of N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SQWWLWVGAOCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19-17-11-10-16-15(17)8-5-9-18(16)21-13-12-20-14-6-3-2-4-7-14/h2-9,17,19H,10-13H2,1H3.
What are the key properties of N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).