N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine

C15H15N3Se — CID 43715826

IUPACN-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC(CNc1cccc2n[se]nc12)c1ccccc1
InChIInChI=1S/C15H15N3Se/c1-11(12-6-3-2-4-7-12)10-16-13-8-5-9-14-15(13)18-19-17-14/h2-9,11,16H,10H2,1H3
InChIKeyVFWRRRKLTMHYAQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP2.90
Rot. Bonds4

About N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine

N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715826) has the molecular formula C15H15N3Se and a molecular weight of 316.27 g/mol. Its IUPAC name is N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715826
Molecular FormulaC15H15N3Se
Molecular Weight316.27 g/mol
Exact Mass317.04
IUPAC NameN-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC(CNc1cccc2n[se]nc12)c1ccccc1
InChIInChI=1S/C15H15N3Se/c1-11(12-6-3-2-4-7-12)10-16-13-8-5-9-14-15(13)18-19-17-14/h2-9,11,16H,10H2,1H3
InChIKeyVFWRRRKLTMHYAQ-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43784901
N-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
N-prop-2-ynyl-2,1,3-benzoselenadiazol-4-amine
CID 63951477
2-methyl-N-(2-phenylpropyl)quinolin-4-amine
CID 104591691
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715970
N-[(5-methylthiophen-2-yl)methyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715827
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
CID 62637659

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine (CID 43715826) is N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine is CC(CNc1cccc2n[se]nc12)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is VFWRRRKLTMHYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3Se/c1-11(12-6-3-2-4-7-12)10-16-13-8-5-9-14-15(13)18-19-17-14/h2-9,11,16H,10H2,1H3.
What are the key properties of N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 316.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).