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

C17H25NO2 — CID 65158985

IUPACN-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCCC3CCCO3)cccc21
InChIInChI=1S/C17H25NO2/c1-18-16-10-9-15-14(16)7-2-8-17(15)20-12-4-6-13-5-3-11-19-13/h2,7-8,13,16,18H,3-6,9-12H2,1H3
InChIKeyJPXITAGJJDMGRS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.23
Rot. Bonds6

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

N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 65158985) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID65158985
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2c(OCCCC3CCCO3)cccc21
InChIInChI=1S/C17H25NO2/c1-18-16-10-9-15-14(16)7-2-8-17(15)20-12-4-6-13-5-3-11-19-13/h2,7-8,13,16,18H,3-6,9-12H2,1H3
InChIKeyJPXITAGJJDMGRS-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.23
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

N-methyl-5-(oxolan-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455735
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
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-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine (CID 65158985) is N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine is CNC1CCc2c(OCCCC3CCCO3)cccc21.
What is the InChIKey of N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JPXITAGJJDMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18-16-10-9-15-14(16)7-2-8-17(15)20-12-4-6-13-5-3-11-19-13/h2,7-8,13,16,18H,3-6,9-12H2,1H3.
What are the key properties of N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine?
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65158985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).