5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine

C20H14Br2N2O — CID 171416456

IUPAC5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine
SMILESNc1ccc2c(Oc3c(Br)ccc4cc(N)ccc34)c(Br)ccc2c1
InChIInChI=1S/C20H14Br2N2O/c21-17-7-1-11-9-13(23)3-5-15(11)19(17)25-20-16-6-4-14(24)10-12(16)2-8-18(20)22/h1-10H,23-24H2
InChIKeyRPUVOFZTQPPSBM-UHFFFAOYSA-N
MW458.15 g/mol
LogP6.47
Rot. Bonds2

About 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine

5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine (PubChem CID 171416456) has the molecular formula C20H14Br2N2O and a molecular weight of 458.15 g/mol. Its IUPAC name is 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine.

Molecular Properties

Compound Name5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine
PubChem CID171416456
Molecular FormulaC20H14Br2N2O
Molecular Weight458.15 g/mol
Exact Mass455.95
IUPAC Name5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine
SMILESNc1ccc2c(Oc3c(Br)ccc4cc(N)ccc34)c(Br)ccc2c1
InChIInChI=1S/C20H14Br2N2O/c21-17-7-1-11-9-13(23)3-5-15(11)19(17)25-20-16-6-4-14(24)10-12(16)2-8-18(20)22/h1-10H,23-24H2
InChIKeyRPUVOFZTQPPSBM-UHFFFAOYSA-N
XLogP6.47
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.15
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[3-(4-amino-2-bromophenyl)-2,6-dibromophenoxy]-2,4-dibromophenyl]-3-bromoaniline
CID 141365871
hexahelicene-3,14-diamine
CID 102491196
1,8-dibromopyrene
CID 158350573
1-bromoisoquinolin-6-amine
CID 150153113
3,8-dibromopyren-1-amine
CID 142716796
benzo[f]isoquinolin-8-amine
CID 101109295
6-bromophenanthren-3-amine
CID 163359562
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
6-bromo-4-fluoronaphthalen-2-amine
CID 115043475
5-amino-2-bromophenol
CID 10130284
5-phenoxynaphthalen-2-amine
CID 138739792
6-bromo-5-(4-nitrophenoxy)naphthalen-2-ol
CID 171446650

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine?
The IUPAC name of 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine (CID 171416456) is 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine.
What is the SMILES notation for 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine?
The canonical SMILES for 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine is Nc1ccc2c(Oc3c(Br)ccc4cc(N)ccc34)c(Br)ccc2c1.
What is the InChIKey of 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine?
The InChIKey is RPUVOFZTQPPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2O/c21-17-7-1-11-9-13(23)3-5-15(11)19(17)25-20-16-6-4-14(24)10-12(16)2-8-18(20)22/h1-10H,23-24H2.
What are the key properties of 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine?
5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine has a molecular weight of 458.15 g/mol, XLogP of 6.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine is sourced from PubChem (CID 171416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).