(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

C19H23NO — CID 47814868

IUPAC(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1
InChIInChI=1S/C19H23NO/c1-12-8-13(2)17(14(3)9-12)11-20-19-16-7-5-4-6-15(16)10-18(19)21/h4-9,18-21H,10-11H2,1-3H3/t18-,19+/m0/s1
InChIKeyVGMNMKAZMLDUAF-RBUKOAKNSA-N
MW281.40 g/mol
LogP3.36
Rot. Bonds3

About (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 47814868) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID47814868
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1
InChIInChI=1S/C19H23NO/c1-12-8-13(2)17(14(3)9-12)11-20-19-16-7-5-4-6-15(16)10-18(19)21/h4-9,18-21H,10-11H2,1-3H3/t18-,19+/m0/s1
InChIKeyVGMNMKAZMLDUAF-RBUKOAKNSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 47814868) is (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is Cc1cc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1.
What is the InChIKey of (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is VGMNMKAZMLDUAF-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO/c1-12-8-13(2)17(14(3)9-12)11-20-19-16-7-5-4-6-15(16)10-18(19)21/h4-9,18-21H,10-11H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 281.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2,4,6-trimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 47814868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).