2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine

C16H25NO — CID 65050910

IUPAC2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-3-16(4-2,12-17)18-11-13-8-9-14-6-5-7-15(14)10-13/h8-10H,3-7,11-12,17H2,1-2H3
InChIKeyXZIPUABJULWCPB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine

2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine (PubChem CID 65050910) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine
PubChem CID65050910
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-3-16(4-2,12-17)18-11-13-8-9-14-6-5-7-15(14)10-13/h8-10H,3-7,11-12,17H2,1-2H3
InChIKeyXZIPUABJULWCPB-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(ethoxymethyl)-1,2,3,4-tetrahydronaphthalene
CID 90992767
5,6,7,8-tetrahydronaphthalen-2-ylmethanamine;hydrochloride
CID 18993882
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxybutan-1-amine
CID 83837271
2-(2,3-dihydro-1H-inden-5-yl)ethanamine;hydrochloride
CID 135381745
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063497
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
3-(aminomethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)hexan-3-ol
CID 106811489
[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
CID 65051582
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 28917689
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,2-diamine
CID 3052971

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine (CID 65050910) is 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine is CCC(CC)(CN)OCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine?
The InChIKey is XZIPUABJULWCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(4-2,12-17)18-11-13-8-9-14-6-5-7-15(14)10-13/h8-10H,3-7,11-12,17H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine?
2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylmethoxy)-2-ethylbutan-1-amine is sourced from PubChem (CID 65050910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).