1-bromo-N,N-diethylnaphthalen-2-amine

C14H16BrN — CID 67315790

IUPAC1-bromo-N,N-diethylnaphthalen-2-amine
SMILESCCN(CC)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H16BrN/c1-3-16(4-2)13-10-9-11-7-5-6-8-12(11)14(13)15/h5-10H,3-4H2,1-2H3
InChIKeyXAFGLUUSORQURT-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.45
Rot. Bonds3

About 1-bromo-N,N-diethylnaphthalen-2-amine

1-bromo-N,N-diethylnaphthalen-2-amine (PubChem CID 67315790) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 1-bromo-N,N-diethylnaphthalen-2-amine.

Molecular Properties

Compound Name1-bromo-N,N-diethylnaphthalen-2-amine
PubChem CID67315790
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name1-bromo-N,N-diethylnaphthalen-2-amine
SMILESCCN(CC)c1ccc2ccccc2c1Br
InChIInChI=1S/C14H16BrN/c1-3-16(4-2)13-10-9-11-7-5-6-8-12(11)14(13)15/h5-10H,3-4H2,1-2H3
InChIKeyXAFGLUUSORQURT-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N,N-diethylnaphthalen-2-amine?
The IUPAC name of 1-bromo-N,N-diethylnaphthalen-2-amine (CID 67315790) is 1-bromo-N,N-diethylnaphthalen-2-amine.
What is the SMILES notation for 1-bromo-N,N-diethylnaphthalen-2-amine?
The canonical SMILES for 1-bromo-N,N-diethylnaphthalen-2-amine is CCN(CC)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-N,N-diethylnaphthalen-2-amine?
The InChIKey is XAFGLUUSORQURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-3-16(4-2)13-10-9-11-7-5-6-8-12(11)14(13)15/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-bromo-N,N-diethylnaphthalen-2-amine?
1-bromo-N,N-diethylnaphthalen-2-amine has a molecular weight of 278.19 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N-diethylnaphthalen-2-amine is sourced from PubChem (CID 67315790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).