7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane

C14H22BrN — CID 142248628

IUPAC7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane
SMILESCCC.CNC1CCc2ccc(Br)cc2C1
InChIInChI=1S/C11H14BrN.C3H8/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11;1-3-2/h2,4,6,11,13H,3,5,7H2,1H3;3H2,1-2H3
InChIKeyONQLOIHFPBPXSS-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.94
Rot. Bonds1

About 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane

7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane (PubChem CID 142248628) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane.

Molecular Properties

Compound Name7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane
PubChem CID142248628
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane
SMILESCCC.CNC1CCc2ccc(Br)cc2C1
InChIInChI=1S/C11H14BrN.C3H8/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11;1-3-2/h2,4,6,11,13H,3,5,7H2,1H3;3H2,1-2H3
InChIKeyONQLOIHFPBPXSS-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane?
The IUPAC name of 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane (CID 142248628) is 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane.
What is the SMILES notation for 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane?
The canonical SMILES for 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane is CCC.CNC1CCc2ccc(Br)cc2C1.
What is the InChIKey of 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane?
The InChIKey is ONQLOIHFPBPXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.C3H8/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11;1-3-2/h2,4,6,11,13H,3,5,7H2,1H3;3H2,1-2H3.
What are the key properties of 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane?
7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane has a molecular weight of 284.24 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine;propane is sourced from PubChem (CID 142248628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).