7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3O2 — CID 103931495

IUPAC7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1noc(C)n1)CCC2
InChIInChI=1S/C16H21N3O2/c1-11-18-16(19-21-11)8-9-17-15-5-3-4-12-6-7-13(20-2)10-14(12)15/h6-7,10,15,17H,3-5,8-9H2,1-2H3
InChIKeyFCXOSMZHQISNIT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.60
Rot. Bonds5

About 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103931495) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103931495
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCc1noc(C)n1)CCC2
InChIInChI=1S/C16H21N3O2/c1-11-18-16(19-21-11)8-9-17-15-5-3-4-12-6-7-13(20-2)10-14(12)15/h6-7,10,15,17H,3-5,8-9H2,1-2H3
InChIKeyFCXOSMZHQISNIT-UHFFFAOYSA-N
XLogP2.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79239077
N-[2-(5-bromothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106042610
7-methoxy-N-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240012
N-[2-[2-(dimethylamino)ethoxy]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107094075
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
7-methoxy-N-[2-(oxolan-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104537990
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039
N-(2-bromoprop-2-enyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113261175
5-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103931619
N-(furan-3-ylmethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115674094
N'-cyclopropyl-N'-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 103780471
6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80685808

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103931495) is 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCCc1noc(C)n1)CCC2.
What is the InChIKey of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FCXOSMZHQISNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-18-16(19-21-11)8-9-17-15-5-3-4-12-6-7-13(20-2)10-14(12)15/h6-7,10,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103931495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).