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

C16H17N3Se — CID 43784901

IUPACN-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC(C)C(Nc1cccc2n[se]nc12)c1ccccc1
InChIInChI=1S/C16H17N3Se/c1-11(2)15(12-7-4-3-5-8-12)17-13-9-6-10-14-16(13)19-20-18-14/h3-11,15,17H,1-2H3
InChIKeyXFFKZLBGKKNELG-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.50
Rot. Bonds4

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

N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43784901) has the molecular formula C16H17N3Se and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
PubChem CID43784901
Molecular FormulaC16H17N3Se
Molecular Weight330.29 g/mol
Exact Mass331.06
IUPAC NameN-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC(C)C(Nc1cccc2n[se]nc12)c1ccccc1
InChIInChI=1S/C16H17N3Se/c1-11(2)15(12-7-4-3-5-8-12)17-13-9-6-10-14-16(13)19-20-18-14/h3-11,15,17H,1-2H3
InChIKeyXFFKZLBGKKNELG-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.50
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-(3-methyl-1-phenylbutyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715911
N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715826
4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715970
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
N-(1-cyclopropylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 64919702
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784897
N-[1-(3,4-dichlorophenyl)propyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784851
N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
CID 62637659
2-methyl-3-[(2-methyl-1-phenylpropyl)amino]benzoic acid
CID 43789397

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine (CID 43784901) is N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine is CC(C)C(Nc1cccc2n[se]nc12)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is XFFKZLBGKKNELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3Se/c1-11(2)15(12-7-4-3-5-8-12)17-13-9-6-10-14-16(13)19-20-18-14/h3-11,15,17H,1-2H3.
What are the key properties of N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine?
N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 330.29 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43784901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).