4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H24N2O — CID 115419081

IUPAC4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CC3CCC(C2)O3)C(N)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-11-8-16(17(18)15-5-3-2-4-14(11)15)19-9-12-6-7-13(10-19)20-12/h2-5,11-13,16-17H,6-10,18H2,1H3
InChIKeyMZKSADIUANHNFM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.43
Rot. Bonds1

About 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419081) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419081
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CC3CCC(C2)O3)C(N)c2ccccc21
InChIInChI=1S/C17H24N2O/c1-11-8-16(17(18)15-5-3-2-4-14(11)15)19-9-12-6-7-13(10-19)20-12/h2-5,11-13,16-17H,6-10,18H2,1H3
InChIKeyMZKSADIUANHNFM-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419081) is 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(N2CC3CCC(C2)O3)C(N)c2ccccc21.
What is the InChIKey of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MZKSADIUANHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-8-16(17(18)15-5-3-2-4-14(11)15)19-9-12-6-7-13(10-19)20-12/h2-5,11-13,16-17H,6-10,18H2,1H3.
What are the key properties of 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.39 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).