N-(4-bromophenyl)naphthalen-1-amine

C16H12BrN — CID 134843458

IUPACN-(4-bromophenyl)naphthalen-1-amine
SMILESBrc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H12BrN/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H
InChIKeyFJMROSSGAWRCFJ-UHFFFAOYSA-N
MW298.18 g/mol
LogP5.35
Rot. Bonds2

About N-(4-bromophenyl)naphthalen-1-amine

N-(4-bromophenyl)naphthalen-1-amine (PubChem CID 134843458) has the molecular formula C16H12BrN and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(4-bromophenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)naphthalen-1-amine
PubChem CID134843458
Molecular FormulaC16H12BrN
Molecular Weight298.18 g/mol
Exact Mass297.02
IUPAC NameN-(4-bromophenyl)naphthalen-1-amine
SMILESBrc1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C16H12BrN/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H
InChIKeyFJMROSSGAWRCFJ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.18
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)naphthalen-1-amine?
The IUPAC name of N-(4-bromophenyl)naphthalen-1-amine (CID 134843458) is N-(4-bromophenyl)naphthalen-1-amine.
What is the SMILES notation for N-(4-bromophenyl)naphthalen-1-amine?
The canonical SMILES for N-(4-bromophenyl)naphthalen-1-amine is Brc1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)naphthalen-1-amine?
The InChIKey is FJMROSSGAWRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,18H.
What are the key properties of N-(4-bromophenyl)naphthalen-1-amine?
N-(4-bromophenyl)naphthalen-1-amine has a molecular weight of 298.18 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)naphthalen-1-amine is sourced from PubChem (CID 134843458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).