6-bromo-N,N-dibutylnaphthalen-2-amine

C18H24BrN — CID 13169153

IUPAC6-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyHYWTZZAYOKZIKX-UHFFFAOYSA-N
MW334.30 g/mol
LogP6.01
Rot. Bonds7

About 6-bromo-N,N-dibutylnaphthalen-2-amine

6-bromo-N,N-dibutylnaphthalen-2-amine (PubChem CID 13169153) has the molecular formula C18H24BrN and a molecular weight of 334.30 g/mol. Its IUPAC name is 6-bromo-N,N-dibutylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N,N-dibutylnaphthalen-2-amine
PubChem CID13169153
Molecular FormulaC18H24BrN
Molecular Weight334.30 g/mol
Exact Mass333.11
IUPAC Name6-bromo-N,N-dibutylnaphthalen-2-amine
SMILESCCCCN(CCCC)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyHYWTZZAYOKZIKX-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 6-bromo-N,N-dibutylnaphthalen-2-amine?
The IUPAC name of 6-bromo-N,N-dibutylnaphthalen-2-amine (CID 13169153) is 6-bromo-N,N-dibutylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N,N-dibutylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-N,N-dibutylnaphthalen-2-amine is CCCCN(CCCC)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N,N-dibutylnaphthalen-2-amine?
The InChIKey is HYWTZZAYOKZIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN/c1-3-5-11-20(12-6-4-2)18-10-8-15-13-17(19)9-7-16(15)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 6-bromo-N,N-dibutylnaphthalen-2-amine?
6-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 6-bromo-N,N-dibutylnaphthalen-2-amine is sourced from PubChem (CID 13169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).