2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol

C16H25NO — CID 175535780

IUPAC2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CCC)C1Cc2cc(C)c(O)cc2C1
InChIInChI=1S/C16H25NO/c1-4-6-17(7-5-2)15-9-13-8-12(3)16(18)11-14(13)10-15/h8,11,15,18H,4-7,9-10H2,1-3H3
InChIKeyXMUKTIGHXNFACB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds5

About 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol

2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 175535780) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
PubChem CID175535780
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CCC)C1Cc2cc(C)c(O)cc2C1
InChIInChI=1S/C16H25NO/c1-4-6-17(7-5-2)15-9-13-8-12(3)16(18)11-14(13)10-15/h8,11,15,18H,4-7,9-10H2,1-3H3
InChIKeyXMUKTIGHXNFACB-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol (CID 175535780) is 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol is CCCN(CCC)C1Cc2cc(C)c(O)cc2C1.
What is the InChIKey of 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is XMUKTIGHXNFACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-17(7-5-2)15-9-13-8-12(3)16(18)11-14(13)10-15/h8,11,15,18H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol?
2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-methyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 175535780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).