1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol

C17H18BrNO — CID 107682184

IUPAC1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H18BrNO/c1-10-7-13(18)8-11(2)17(10)19-16-6-3-12-9-14(20)4-5-15(12)16/h4-5,7-9,16,19-20H,3,6H2,1-2H3
InChIKeyWKMZYOSQUSOPJQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.87
Rot. Bonds2

About 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682184) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682184
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H18BrNO/c1-10-7-13(18)8-11(2)17(10)19-16-6-3-12-9-14(20)4-5-15(12)16/h4-5,7-9,16,19-20H,3,6H2,1-2H3
InChIKeyWKMZYOSQUSOPJQ-UHFFFAOYSA-N
XLogP4.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682189
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-hydroxy-2,5-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682735
1-(2,5-dichloro-4-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682645
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682184) is 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol is Cc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is WKMZYOSQUSOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-7-13(18)8-11(2)17(10)19-16-6-3-12-9-14(20)4-5-15(12)16/h4-5,7-9,16,19-20H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 332.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).