N-benzyl-2-bromo-N-methylnaphthalen-1-amine

C18H16BrN — CID 118356880

IUPACN-benzyl-2-bromo-N-methylnaphthalen-1-amine
SMILESCN(Cc1ccccc1)c1c(Br)ccc2ccccc12
InChIInChI=1S/C18H16BrN/c1-20(13-14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)11-12-17(18)19/h2-12H,13H2,1H3
InChIKeyPBADNJSSIUFDIG-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.24
Rot. Bonds3

About N-benzyl-2-bromo-N-methylnaphthalen-1-amine

N-benzyl-2-bromo-N-methylnaphthalen-1-amine (PubChem CID 118356880) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-methylnaphthalen-1-amine.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-methylnaphthalen-1-amine
PubChem CID118356880
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC NameN-benzyl-2-bromo-N-methylnaphthalen-1-amine
SMILESCN(Cc1ccccc1)c1c(Br)ccc2ccccc12
InChIInChI=1S/C18H16BrN/c1-20(13-14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)11-12-17(18)19/h2-12H,13H2,1H3
InChIKeyPBADNJSSIUFDIG-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-methylnaphthalen-1-amine?
The IUPAC name of N-benzyl-2-bromo-N-methylnaphthalen-1-amine (CID 118356880) is N-benzyl-2-bromo-N-methylnaphthalen-1-amine.
What is the SMILES notation for N-benzyl-2-bromo-N-methylnaphthalen-1-amine?
The canonical SMILES for N-benzyl-2-bromo-N-methylnaphthalen-1-amine is CN(Cc1ccccc1)c1c(Br)ccc2ccccc12.
What is the InChIKey of N-benzyl-2-bromo-N-methylnaphthalen-1-amine?
The InChIKey is PBADNJSSIUFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-20(13-14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)11-12-17(18)19/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-methylnaphthalen-1-amine?
N-benzyl-2-bromo-N-methylnaphthalen-1-amine has a molecular weight of 326.24 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-methylnaphthalen-1-amine is sourced from PubChem (CID 118356880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).