1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol

C14H21NO — CID 82976934

IUPAC1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCN(C(C)C)C1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO/c1-4-15(10(2)3)13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,16H,4,8-9H2,1-3H3
InChIKeyGFTDLVWGWKHOOT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.11
Rot. Bonds3

About 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol

1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 82976934) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID82976934
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCCN(C(C)C)C1CCc2c(O)cccc21
InChIInChI=1S/C14H21NO/c1-4-15(10(2)3)13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,16H,4,8-9H2,1-3H3
InChIKeyGFTDLVWGWKHOOT-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 82976934) is 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is CCN(C(C)C)C1CCc2c(O)cccc21.
What is the InChIKey of 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is GFTDLVWGWKHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15(10(2)3)13-9-8-12-11(13)6-5-7-14(12)16/h5-7,10,13,16H,4,8-9H2,1-3H3.
What are the key properties of 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 219.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 82976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).