N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine

C17H17N3O — CID 77088929

IUPACN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(Cc1cccc2nonc12)C1Cc2ccccc2C1
InChIInChI=1S/C17H17N3O/c1-20(15-9-12-5-2-3-6-13(12)10-15)11-14-7-4-8-16-17(14)19-21-18-16/h2-8,15H,9-11H2,1H3
InChIKeyNXIWWRJBRFXPFI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine

N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 77088929) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine
PubChem CID77088929
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine
SMILESCN(Cc1cccc2nonc12)C1Cc2ccccc2C1
InChIInChI=1S/C17H17N3O/c1-20(15-9-12-5-2-3-6-13(12)10-15)11-14-7-4-8-16-17(14)19-21-18-16/h2-8,15H,9-11H2,1H3
InChIKeyNXIWWRJBRFXPFI-UHFFFAOYSA-N
XLogP2.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine (CID 77088929) is N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine is CN(Cc1cccc2nonc12)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NXIWWRJBRFXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(15-9-12-5-2-3-6-13(12)10-15)11-14-7-4-8-16-17(14)19-21-18-16/h2-8,15H,9-11H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine?
N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 279.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-methyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 77088929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).