1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol

C20H14BrNO — CID 160870948

IUPAC1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol
SMILESNc1ccc2ccccc2c1-c1c(O)ccc2ccc(Br)cc12
InChIInChI=1S/C20H14BrNO/c21-14-8-5-13-7-10-18(23)20(16(13)11-14)19-15-4-2-1-3-12(15)6-9-17(19)22/h1-11,23H,22H2
InChIKeySLTANTIVOGOUFX-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.71
Rot. Bonds1

About 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol

1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol (PubChem CID 160870948) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol
PubChem CID160870948
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol
SMILESNc1ccc2ccccc2c1-c1c(O)ccc2ccc(Br)cc12
InChIInChI=1S/C20H14BrNO/c21-14-8-5-13-7-10-18(23)20(16(13)11-14)19-15-4-2-1-3-12(15)6-9-17(19)22/h1-11,23H,22H2
InChIKeySLTANTIVOGOUFX-UHFFFAOYSA-N
XLogP5.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol (CID 160870948) is 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol is Nc1ccc2ccccc2c1-c1c(O)ccc2ccc(Br)cc12.
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol?
The InChIKey is SLTANTIVOGOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c21-14-8-5-13-7-10-18(23)20(16(13)11-14)19-15-4-2-1-3-12(15)6-9-17(19)22/h1-11,23H,22H2.
What are the key properties of 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol?
1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol has a molecular weight of 364.24 g/mol, XLogP of 5.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)-7-bromonaphthalen-2-ol is sourced from PubChem (CID 160870948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).