(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol

C20H25NO — CID 10402260

IUPAC(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CC)[C@@H]1Cc2ccc(O)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-12-21(4-2)19-13-16-10-11-17(22)14-18(16)20(19)15-8-6-5-7-9-15/h5-11,14,19-20,22H,3-4,12-13H2,1-2H3/t19-,20+/m1/s1
InChIKeyZKPCIUKZQUEQKW-UXHICEINSA-N
MW295.43 g/mol
LogP4.18
Rot. Bonds5

About (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol

(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol (PubChem CID 10402260) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
PubChem CID10402260
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol
SMILESCCCN(CC)[C@@H]1Cc2ccc(O)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H25NO/c1-3-12-21(4-2)19-13-16-10-11-17(22)14-18(16)20(19)15-8-6-5-7-9-15/h5-11,14,19-20,22H,3-4,12-13H2,1-2H3/t19-,20+/m1/s1
InChIKeyZKPCIUKZQUEQKW-UXHICEINSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol (CID 10402260) is (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol is CCCN(CC)[C@@H]1Cc2ccc(O)cc2[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ZKPCIUKZQUEQKW-UXHICEINSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-12-21(4-2)19-13-16-10-11-17(22)14-18(16)20(19)15-8-6-5-7-9-15/h5-11,14,19-20,22H,3-4,12-13H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol?
(2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol has a molecular weight of 295.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[ethyl(propyl)amino]-3-phenyl-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 10402260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).