2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H25NO3 — CID 79374328

IUPAC2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCOC1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C16H25NO3/c1-3-4-7-19-8-9-20-15-10-12-5-6-13(18-2)11-14(12)16(15)17/h5-6,11,15-16H,3-4,7-10,17H2,1-2H3
InChIKeyHUORHLXNLHNEOA-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.45
Rot. Bonds8

About 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79374328) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79374328
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCOC1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C16H25NO3/c1-3-4-7-19-8-9-20-15-10-12-5-6-13(18-2)11-14(12)16(15)17/h5-6,11,15-16H,3-4,7-10,17H2,1-2H3
InChIKeyHUORHLXNLHNEOA-UHFFFAOYSA-N
XLogP2.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
2-(2-ethoxyethoxy)-6-methoxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371140
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
6-methoxy-2-(3-methylcyclohexyl)oxy-2,3-dihydro-1H-inden-1-amine
CID 79374892
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66232008
2-(5-fluoro-2-methylphenoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102981057
2-N-cyclopropyl-6-methoxy-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79374817
6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79370662
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79374328) is 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCCCOCCOC1Cc2ccc(OC)cc2C1N.
What is the InChIKey of 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HUORHLXNLHNEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-4-7-19-8-9-20-15-10-12-5-6-13(18-2)11-14(12)16(15)17/h5-6,11,15-16H,3-4,7-10,17H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79374328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).