(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16BrN — CID 130985321

IUPAC(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc(Br)c2c1[C@H](N)CCC2
InChIInChI=1S/C12H16BrN/c1-2-8-6-7-10(13)9-4-3-5-11(14)12(8)9/h6-7,11H,2-5,14H2,1H3/t11-/m1/s1
InChIKeyHGNQCOAERKGADO-LLVKDONJSA-N
MW254.17 g/mol
LogP3.35
Rot. Bonds1

About (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130985321) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130985321
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1ccc(Br)c2c1[C@H](N)CCC2
InChIInChI=1S/C12H16BrN/c1-2-8-6-7-10(13)9-4-3-5-11(14)12(8)9/h6-7,11H,2-5,14H2,1H3/t11-/m1/s1
InChIKeyHGNQCOAERKGADO-LLVKDONJSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
1,4-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736180
(1R)-5-ethyl-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130691697
(1S)-7-ethyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 131145871
5-ethyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 151605178
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 130673857
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
(5-amino-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methanol
CID 130044029
(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741328
(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014213
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574

Frequently Asked Questions

What is the IUPAC name of (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130985321) is (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1ccc(Br)c2c1[C@H](N)CCC2.
What is the InChIKey of (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HGNQCOAERKGADO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-8-6-7-10(13)9-4-3-5-11(14)12(8)9/h6-7,11H,2-5,14H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130985321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).