(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

C10H12BrN — CID 86326564

IUPAC(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2/t10-/m0/s1
InChIKeyPNTPMWBRGXAFII-JTQLQIEISA-N
MW226.12 g/mol
LogP2.27
Rot. Bonds

About (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 86326564) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID86326564
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2ccc(Br)cc2C1
InChIInChI=1S/C10H12BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2/t10-/m0/s1
InChIKeyPNTPMWBRGXAFII-JTQLQIEISA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine (CID 86326564) is (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@H]1CCc2ccc(Br)cc2C1.
What is the InChIKey of (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is PNTPMWBRGXAFII-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,12H2/t10-/m0/s1.
What are the key properties of (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 226.12 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 86326564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).