7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

C10H12BrNO — CID 139779177

IUPAC7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC1CCc2ccc(O)cc2C1Br
InChIInChI=1S/C10H12BrNO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h1,3,5,9-10,13H,2,4,12H2
InChIKeyVXIDOZKPJFWSOU-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.10
Rot. Bonds

About 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol

7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 139779177) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID139779177
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESNC1CCc2ccc(O)cc2C1Br
InChIInChI=1S/C10H12BrNO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h1,3,5,9-10,13H,2,4,12H2
InChIKeyVXIDOZKPJFWSOU-UHFFFAOYSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8R)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 70366570
(8S)-8-amino-7-benzyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 70366538
7-(aminomethyl)-8-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115057280
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
1-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diol
CID 115010784
3-(2-aminoethyl)-2,3-dihydro-1H-inden-5-ol
CID 83827747
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
(1S,2S)-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalene-1,7-diol
CID 96583640
7-hydroxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057019

Frequently Asked Questions

What is the IUPAC name of 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol (CID 139779177) is 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is NC1CCc2ccc(O)cc2C1Br.
What is the InChIKey of 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is VXIDOZKPJFWSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-10-8-5-7(13)3-1-6(8)2-4-9(10)12/h1,3,5,9-10,13H,2,4,12H2.
What are the key properties of 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol?
7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 242.12 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8-bromo-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 139779177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).