6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

C11H14BrN — CID 63626726

IUPAC6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H14BrN/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11,13H,3,5,7H2,1H3
InChIKeyHLHBGIWMLLVEGK-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.53
Rot. Bonds1

About 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63626726) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63626726
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCNC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H14BrN/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11,13H,3,5,7H2,1H3
InChIKeyHLHBGIWMLLVEGK-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63626726) is 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is CNC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HLHBGIWMLLVEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2,4,6,11,13H,3,5,7H2,1H3.
What are the key properties of 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 240.14 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63626726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).