6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol

C22H30N2O — CID 135138939

IUPAC6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol
SMILESCNc1ccc(C(c2ccc3c(c2)C(O)CC3)C(C)(C)C)c(C)c1N
InChIInChI=1S/C22H30N2O/c1-13-16(9-10-18(24-5)21(13)23)20(22(2,3)4)15-7-6-14-8-11-19(25)17(14)12-15/h6-7,9-10,12,19-20,24-25H,8,11,23H2,1-5H3
InChIKeyZZOYBMCYMPSSRH-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.78
Rot. Bonds3

About 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol

6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol (PubChem CID 135138939) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol
PubChem CID135138939
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol
SMILESCNc1ccc(C(c2ccc3c(c2)C(O)CC3)C(C)(C)C)c(C)c1N
InChIInChI=1S/C22H30N2O/c1-13-16(9-10-18(24-5)21(13)23)20(22(2,3)4)15-7-6-14-8-11-19(25)17(14)12-15/h6-7,9-10,12,19-20,24-25H,8,11,23H2,1-5H3
InChIKeyZZOYBMCYMPSSRH-UHFFFAOYSA-N
XLogP4.78
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol (CID 135138939) is 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol is CNc1ccc(C(c2ccc3c(c2)C(O)CC3)C(C)(C)C)c(C)c1N.
What is the InChIKey of 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZZOYBMCYMPSSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-13-16(9-10-18(24-5)21(13)23)20(22(2,3)4)15-7-6-14-8-11-19(25)17(14)12-15/h6-7,9-10,12,19-20,24-25H,8,11,23H2,1-5H3.
What are the key properties of 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol?
6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 338.50 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-amino-2-methyl-4-(methylamino)phenyl]-2,2-dimethylpropyl]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 135138939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).