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

C17H18BrNO2 — CID 107682189

IUPAC1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H18BrNO2/c1-10-7-12(18)9-16(21-2)17(10)19-15-6-3-11-8-13(20)4-5-14(11)15/h4-5,7-9,15,19-20H,3,6H2,1-2H3
InChIKeyWTWIFSAPSRCZIZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.57
Rot. Bonds3

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

1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682189) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682189
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
SMILESCOc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21
InChIInChI=1S/C17H18BrNO2/c1-10-7-12(18)9-16(21-2)17(10)19-15-6-3-11-8-13(20)4-5-14(11)15/h4-5,7-9,15,19-20H,3,6H2,1-2H3
InChIKeyWTWIFSAPSRCZIZ-UHFFFAOYSA-N
XLogP4.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
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
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
N-(4-bromo-2-methoxy-6-methylphenyl)adamantan-2-amine
CID 63449591
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
1-(4-ethoxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682196

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682189) is 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol is COc1cc(Br)cc(C)c1NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is WTWIFSAPSRCZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-10-7-12(18)9-16(21-2)17(10)19-15-6-3-11-8-13(20)4-5-14(11)15/h4-5,7-9,15,19-20H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 348.24 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).