N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

C21H23N3O — CID 70038767

IUPACN,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCN(C)CC1CCc2cc(-c3nnc(-c4ccccc4)o3)ccc2C1
InChIInChI=1S/C21H23N3O/c1-24(2)14-15-8-9-18-13-19(11-10-17(18)12-15)21-23-22-20(25-21)16-6-4-3-5-7-16/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3
InChIKeyJBTKEMOMCHMGAR-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.07
Rot. Bonds4

About N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine

N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (PubChem CID 70038767) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
PubChem CID70038767
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
SMILESCN(C)CC1CCc2cc(-c3nnc(-c4ccccc4)o3)ccc2C1
InChIInChI=1S/C21H23N3O/c1-24(2)14-15-8-9-18-13-19(11-10-17(18)12-15)21-23-22-20(25-21)16-6-4-3-5-7-16/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3
InChIKeyJBTKEMOMCHMGAR-UHFFFAOYSA-N
XLogP4.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine (CID 70038767) is N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is CN(C)CC1CCc2cc(-c3nnc(-c4ccccc4)o3)ccc2C1.
What is the InChIKey of N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
The InChIKey is JBTKEMOMCHMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-24(2)14-15-8-9-18-13-19(11-10-17(18)12-15)21-23-22-20(25-21)16-6-4-3-5-7-16/h3-7,10-11,13,15H,8-9,12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine?
N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine has a molecular weight of 333.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine is sourced from PubChem (CID 70038767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).