(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

C10H12BrNO — CID 67280135

IUPAC(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESN[C@@H]1c2cc(Br)ccc2CC[C@H]1O
InChIInChI=1S/C10H12BrNO/c11-7-3-1-6-2-4-9(13)10(12)8(6)5-7/h1,3,5,9-10,13H,2,4,12H2/t9-,10-/m1/s1
InChIKeyUFBIQGKVIWRVFU-NXEZZACHSA-N
MW242.12 g/mol
LogP1.76
Rot. Bonds

About (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol

(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 67280135) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID67280135
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESN[C@@H]1c2cc(Br)ccc2CC[C@H]1O
InChIInChI=1S/C10H12BrNO/c11-7-3-1-6-2-4-9(13)10(12)8(6)5-7/h1,3,5,9-10,13H,2,4,12H2/t9-,10-/m1/s1
InChIKeyUFBIQGKVIWRVFU-NXEZZACHSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol (CID 67280135) is (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol is N[C@@H]1c2cc(Br)ccc2CC[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UFBIQGKVIWRVFU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-7-3-1-6-2-4-9(13)10(12)8(6)5-7/h1,3,5,9-10,13H,2,4,12H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol?
(1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 242.12 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-7-bromo-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 67280135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).