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

C23H31NO — CID 11461857

IUPAC(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCCCCN(CCCC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-16-24(17-6-4-2)22-18-19-12-10-11-15-21(19)23(22,25)20-13-8-7-9-14-20/h7-15,22,25H,3-6,16-18H2,1-2H3/t22-,23-/m0/s1
InChIKeyMIVYLJITXIOHPA-GOTSBHOMSA-N
MW337.51 g/mol
LogP4.75
Rot. Bonds8

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

(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol (PubChem CID 11461857) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol
PubChem CID11461857
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol
SMILESCCCCN(CCCC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-5-16-24(17-6-4-2)22-18-19-12-10-11-15-21(19)23(22,25)20-13-8-7-9-14-20/h7-15,22,25H,3-6,16-18H2,1-2H3/t22-,23-/m0/s1
InChIKeyMIVYLJITXIOHPA-GOTSBHOMSA-N
XLogP4.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The IUPAC name of (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol (CID 11461857) is (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The canonical SMILES for (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol is CCCCN(CCCC)[C@H]1Cc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol?
The InChIKey is MIVYLJITXIOHPA-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-5-16-24(17-6-4-2)22-18-19-12-10-11-15-21(19)23(22,25)20-13-8-7-9-14-20/h7-15,22,25H,3-6,16-18H2,1-2H3/t22-,23-/m0/s1.
What are the key properties of (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol?
(1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol has a molecular weight of 337.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(dibutylamino)-1-phenyl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 11461857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).