N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine

C15H13BrN2 — CID 2318144

IUPACN-(4-bromophenyl)-3,4-dihydroquinolin-2-amine
SMILESBrc1ccc(NC2=Nc3ccccc3CC2)cc1
InChIInChI=1S/C15H13BrN2/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15/h1-4,6-9H,5,10H2,(H,17,18)
InChIKeyXOIQLBAJZANGKX-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.54
Rot. Bonds1

About N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine

N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine (PubChem CID 2318144) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-3,4-dihydroquinolin-2-amine
PubChem CID2318144
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC NameN-(4-bromophenyl)-3,4-dihydroquinolin-2-amine
SMILESBrc1ccc(NC2=Nc3ccccc3CC2)cc1
InChIInChI=1S/C15H13BrN2/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15/h1-4,6-9H,5,10H2,(H,17,18)
InChIKeyXOIQLBAJZANGKX-UHFFFAOYSA-N
XLogP4.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine?
The IUPAC name of N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine (CID 2318144) is N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine is Brc1ccc(NC2=Nc3ccccc3CC2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine?
The InChIKey is XOIQLBAJZANGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15/h1-4,6-9H,5,10H2,(H,17,18).
What are the key properties of N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine?
N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine is sourced from PubChem (CID 2318144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).