N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

C17H22N2O2 — CID 62486332

IUPACN-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C17H22N2O2/c1-2-18-11-15-10-17(21-19-15)12-20-16-8-7-13-5-3-4-6-14(13)9-16/h7-10,18H,2-6,11-12H2,1H3
InChIKeyAOKHUFWAMGKHOJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.24
Rot. Bonds6

About N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62486332) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62486332
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccc3c(c2)CCCC3)on1
InChIInChI=1S/C17H22N2O2/c1-2-18-11-15-10-17(21-19-15)12-20-16-8-7-13-5-3-4-6-14(13)9-16/h7-10,18H,2-6,11-12H2,1H3
InChIKeyAOKHUFWAMGKHOJ-UHFFFAOYSA-N
XLogP3.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
N-[[5-[(4-propylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62548925
N-[[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62321397
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940
N-[[5-[(4-ethyl-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 107668507
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 62486332) is N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COc2ccc3c(c2)CCCC3)on1.
What is the InChIKey of N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is AOKHUFWAMGKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-18-11-15-10-17(21-19-15)12-20-16-8-7-13-5-3-4-6-14(13)9-16/h7-10,18H,2-6,11-12H2,1H3.
What are the key properties of N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62486332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).