1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol

C15H14BrNO — CID 107681800

IUPAC1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c16-11-2-4-12(5-3-11)17-15-8-1-10-9-13(18)6-7-14(10)15/h2-7,9,15,17-18H,1,8H2
InChIKeyCZGRWNLKJUPNQI-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.25
Rot. Bonds2

About 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol

1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681800) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107681800
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO/c16-11-2-4-12(5-3-11)17-15-8-1-10-9-13(18)6-7-14(10)15/h2-7,9,15,17-18H,1,8H2
InChIKeyCZGRWNLKJUPNQI-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
CID 107681840
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682026
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682586
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol (CID 107681800) is 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is CZGRWNLKJUPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-11-2-4-12(5-3-11)17-15-8-1-10-9-13(18)6-7-14(10)15/h2-7,9,15,17-18H,1,8H2.
What are the key properties of 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol?
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 304.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).