6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine

C14H14BrN — CID 59266361

IUPAC6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine
SMILESC=Cc1cc2cc(Br)ccc2cc1N(C)C
InChIInChI=1S/C14H14BrN/c1-4-10-7-12-8-13(15)6-5-11(12)9-14(10)16(2)3/h4-9H,1H2,2-3H3
InChIKeyJMAARBQYMUITHJ-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.31
Rot. Bonds2

About 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine

6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine (PubChem CID 59266361) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine
PubChem CID59266361
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine
SMILESC=Cc1cc2cc(Br)ccc2cc1N(C)C
InChIInChI=1S/C14H14BrN/c1-4-10-7-12-8-13(15)6-5-11(12)9-14(10)16(2)3/h4-9H,1H2,2-3H3
InChIKeyJMAARBQYMUITHJ-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine (CID 59266361) is 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine is C=Cc1cc2cc(Br)ccc2cc1N(C)C.
What is the InChIKey of 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine?
The InChIKey is JMAARBQYMUITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c1-4-10-7-12-8-13(15)6-5-11(12)9-14(10)16(2)3/h4-9H,1H2,2-3H3.
What are the key properties of 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine?
6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine has a molecular weight of 276.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 59266361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).