5-bromo-N,N-dimethylnaphthalen-1-amine

C12H12BrN — CID 21414538

IUPAC5-bromo-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(Br)cccc12
InChIInChI=1S/C12H12BrN/c1-14(2)12-8-4-5-9-10(12)6-3-7-11(9)13/h3-8H,1-2H3
InChIKeyKFTJBSYZCSXVBK-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.67
Rot. Bonds1

About 5-bromo-N,N-dimethylnaphthalen-1-amine

5-bromo-N,N-dimethylnaphthalen-1-amine (PubChem CID 21414538) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 5-bromo-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethylnaphthalen-1-amine
PubChem CID21414538
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name5-bromo-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(Br)cccc12
InChIInChI=1S/C12H12BrN/c1-14(2)12-8-4-5-9-10(12)6-3-7-11(9)13/h3-8H,1-2H3
InChIKeyKFTJBSYZCSXVBK-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.67
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-dimethylnaphthalen-1-amine?
The IUPAC name of 5-bromo-N,N-dimethylnaphthalen-1-amine (CID 21414538) is 5-bromo-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 5-bromo-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 5-bromo-N,N-dimethylnaphthalen-1-amine is CN(C)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N,N-dimethylnaphthalen-1-amine?
The InChIKey is KFTJBSYZCSXVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-14(2)12-8-4-5-9-10(12)6-3-7-11(9)13/h3-8H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethylnaphthalen-1-amine?
5-bromo-N,N-dimethylnaphthalen-1-amine has a molecular weight of 250.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 21414538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).