(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol

C15H23NO — CID 12728242

IUPAC(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCCCN(CCC)[C@H]1Cc2cccc(O)c2C1
InChIInChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3/t13-/m0/s1
InChIKeyCJKPENGZQFFKLK-ZDUSSCGKSA-N
MW233.35 g/mol
LogP2.98
Rot. Bonds5

About (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol

(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 12728242) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol
PubChem CID12728242
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol
SMILESCCCN(CCC)[C@H]1Cc2cccc(O)c2C1
InChIInChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3/t13-/m0/s1
InChIKeyCJKPENGZQFFKLK-ZDUSSCGKSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol (CID 12728242) is (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol is CCCN(CCC)[C@H]1Cc2cccc(O)c2C1.
What is the InChIKey of (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is CJKPENGZQFFKLK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol?
(2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 233.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dipropylamino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 12728242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).