5-bromo-N,N-dibutylnaphthalen-2-amine

C18H24BrN — CID 69134872

IUPAC5-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19/h7-11,14H,3-6,12-13H2,1-2H3
InChIKeyUCZMCIBIERMMPG-UHFFFAOYSA-N
MW334.30 g/mol
LogP6.01
Rot. Bonds7

About 5-bromo-N,N-dibutylnaphthalen-2-amine

5-bromo-N,N-dibutylnaphthalen-2-amine (PubChem CID 69134872) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-bromo-N,N-dibutylnaphthalen-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-dibutylnaphthalen-2-amine
PubChem CID69134872
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC Name5-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2c(Br)cccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19/h7-11,14H,3-6,12-13H2,1-2H3
InChIKeyUCZMCIBIERMMPG-UHFFFAOYSA-N
XLogP6.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.30
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dibutylnaphthalen-2-amine?
The IUPAC name of 5-bromo-N,N-dibutylnaphthalen-2-amine (CID 69134872) is 5-bromo-N,N-dibutylnaphthalen-2-amine.
What is the SMILES notation for 5-bromo-N,N-dibutylnaphthalen-2-amine?
The canonical SMILES for 5-bromo-N,N-dibutylnaphthalen-2-amine is CCCCN(CCCC)c1ccc2c(Br)cccc2c1.
What is the InChIKey of 5-bromo-N,N-dibutylnaphthalen-2-amine?
The InChIKey is UCZMCIBIERMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-3-5-12-20(13-6-4-2)16-10-11-17-15(14-16)8-7-9-18(17)19/h7-11,14H,3-6,12-13H2,1-2H3.
What are the key properties of 5-bromo-N,N-dibutylnaphthalen-2-amine?
5-bromo-N,N-dibutylnaphthalen-2-amine has a molecular weight of 334.30 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dibutylnaphthalen-2-amine is sourced from PubChem (CID 69134872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).