(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol

C19H23NO — CID 101189380

IUPAC(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCCN(CC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-20(4-2)18-14-15-10-8-9-13-17(15)19(18,21)16-11-6-5-7-12-16/h5-13,18,21H,3-4,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyQWDSOMZPKZOGHF-OALUTQOASA-N
MW281.40 g/mol
LogP3.19
Rot. Bonds4

About (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol

(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol (PubChem CID 101189380) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol
PubChem CID101189380
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCCN(CC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C19H23NO/c1-3-20(4-2)18-14-15-10-8-9-13-17(15)19(18,21)16-11-6-5-7-12-16/h5-13,18,21H,3-4,14H2,1-2H3/t18-,19-/m0/s1
InChIKeyQWDSOMZPKZOGHF-OALUTQOASA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The IUPAC name of (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol (CID 101189380) is (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol is CCN(CC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The InChIKey is QWDSOMZPKZOGHF-OALUTQOASA-N. The full InChI is InChI=1S/C19H23NO/c1-3-20(4-2)18-14-15-10-8-9-13-17(15)19(18,21)16-11-6-5-7-12-16/h5-13,18,21H,3-4,14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol?
(1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(diethylamino)-1-phenyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 101189380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).