1-phenylselanylnaphthalen-2-amine

C16H13NSe — CID 162416467

IUPAC1-phenylselanylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C16H13NSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11H,17H2
InChIKeyLDWZRHQMDJAHAW-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.08
Rot. Bonds2

About 1-phenylselanylnaphthalen-2-amine

1-phenylselanylnaphthalen-2-amine (PubChem CID 162416467) has the molecular formula C16H13NSe and a molecular weight of 298.25 g/mol. Its IUPAC name is 1-phenylselanylnaphthalen-2-amine.

Molecular Properties

Compound Name1-phenylselanylnaphthalen-2-amine
PubChem CID162416467
Molecular FormulaC16H13NSe
Molecular Weight298.25 g/mol
Exact Mass299.02
IUPAC Name1-phenylselanylnaphthalen-2-amine
SMILESNc1ccc2ccccc2c1[Se]c1ccccc1
InChIInChI=1S/C16H13NSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11H,17H2
InChIKeyLDWZRHQMDJAHAW-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenylselanylnaphthalen-2-ol
CID 12698118
4-phenylselanylquinolin-3-amine
CID 177465835
1-phenylselanylnaphthalene
CID 11196823
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
CID 174017027
CID 174017027
1-phosphanylnaphthalen-2-amine
CID 15207058
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-phenylselanylnaphthalene
CID 10062344
2-aminonaphthalen-1-ol;ethane
CID 143085377
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
11,12-bis(phenylselanyl)-9,14-diselenapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 177484303
CID 135259743
CID 135259743

Frequently Asked Questions

What is the IUPAC name of 1-phenylselanylnaphthalen-2-amine?
The IUPAC name of 1-phenylselanylnaphthalen-2-amine (CID 162416467) is 1-phenylselanylnaphthalen-2-amine.
What is the SMILES notation for 1-phenylselanylnaphthalen-2-amine?
The canonical SMILES for 1-phenylselanylnaphthalen-2-amine is Nc1ccc2ccccc2c1[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanylnaphthalen-2-amine?
The InChIKey is LDWZRHQMDJAHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NSe/c17-15-11-10-12-6-4-5-9-14(12)16(15)18-13-7-2-1-3-8-13/h1-11H,17H2.
What are the key properties of 1-phenylselanylnaphthalen-2-amine?
1-phenylselanylnaphthalen-2-amine has a molecular weight of 298.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanylnaphthalen-2-amine is sourced from PubChem (CID 162416467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).