N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

C15H15N3Se — CID 43715970

IUPACN-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCc1ccccc1C(C)Nc1cccc2n[se]nc12
InChIInChI=1S/C15H15N3Se/c1-10-6-3-4-7-12(10)11(2)16-13-8-5-9-14-15(13)18-19-17-14/h3-9,11,16H,1-2H3
InChIKeyPRWOVZBCOQIUTR-UHFFFAOYSA-N
MW316.27 g/mol
LogP3.17
Rot. Bonds3

About N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine

N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715970) has the molecular formula C15H15N3Se and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715970
Molecular FormulaC15H15N3Se
Molecular Weight316.27 g/mol
Exact Mass317.04
IUPAC NameN-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCc1ccccc1C(C)Nc1cccc2n[se]nc12
InChIInChI=1S/C15H15N3Se/c1-10-6-3-4-7-12(10)11(2)16-13-8-5-9-14-15(13)18-19-17-14/h3-9,11,16H,1-2H3
InChIKeyPRWOVZBCOQIUTR-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 53.17
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

4-[1-(2,1,3-benzoselenadiazol-4-ylamino)ethyl]phenol
CID 43715966
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43784897
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
N-(2-methyl-1-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43784901
N-[1-(3-chlorophenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715919
N-[1-(4-ethoxyphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715912
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
N-(2-phenylpropyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715826
2-[1-(2-methylphenyl)ethylamino]benzonitrile
CID 43178628

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine (CID 43715970) is N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is Cc1ccccc1C(C)Nc1cccc2n[se]nc12.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is PRWOVZBCOQIUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3Se/c1-10-6-3-4-7-12(10)11(2)16-13-8-5-9-14-15(13)18-19-17-14/h3-9,11,16H,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine?
N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 316.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).