2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine

C17H27NO — CID 43127698

IUPAC2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCC(CC)COC1Cc2ccccc2C1N
InChIInChI=1S/C17H27NO/c1-3-5-8-13(4-2)12-19-16-11-14-9-6-7-10-15(14)17(16)18/h6-7,9-10,13,16-17H,3-5,8,11-12,18H2,1-2H3
InChIKeySNHLPXSCDKNXMJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds7

About 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine

2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43127698) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID43127698
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCC(CC)COC1Cc2ccccc2C1N
InChIInChI=1S/C17H27NO/c1-3-5-8-13(4-2)12-19-16-11-14-9-6-7-10-15(14)17(16)18/h6-7,9-10,13,16-17H,3-5,8,11-12,18H2,1-2H3
InChIKeySNHLPXSCDKNXMJ-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine (CID 43127698) is 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine is CCCCC(CC)COC1Cc2ccccc2C1N.
What is the InChIKey of 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SNHLPXSCDKNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-8-13(4-2)12-19-16-11-14-9-6-7-10-15(14)17(16)18/h6-7,9-10,13,16-17H,3-5,8,11-12,18H2,1-2H3.
What are the key properties of 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine?
2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43127698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).