8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H24BrN — CID 14529564

IUPAC8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(Br)c2C1
InChIInChI=1S/C16H24BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3
InChIKeyMRVOVSJOIOFTKG-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.43
Rot. Bonds5

About 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 14529564) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID14529564
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(Br)c2C1
InChIInChI=1S/C16H24BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3
InChIKeyMRVOVSJOIOFTKG-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 14529564) is 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2cccc(Br)c2C1.
What is the InChIKey of 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MRVOVSJOIOFTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-3-10-18(11-4-2)14-9-8-13-6-5-7-16(17)15(13)12-14/h5-7,14H,3-4,8-12H2,1-2H3.
What are the key properties of 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 310.28 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 14529564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).