2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide

C13H18N2O2 — CID 14181183

IUPAC2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
SMILESNCC1CCCc2cc(OCC(N)=O)ccc21
InChIInChI=1S/C13H18N2O2/c14-7-10-3-1-2-9-6-11(4-5-12(9)10)17-8-13(15)16/h4-6,10H,1-3,7-8,14H2,(H2,15,16)
InChIKeyJVPKUGSXCAIACV-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.93
Rot. Bonds4

About 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide

2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide (PubChem CID 14181183) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
PubChem CID14181183
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
SMILESNCC1CCCc2cc(OCC(N)=O)ccc21
InChIInChI=1S/C13H18N2O2/c14-7-10-3-1-2-9-6-11(4-5-12(9)10)17-8-13(15)16/h4-6,10H,1-3,7-8,14H2,(H2,15,16)
InChIKeyJVPKUGSXCAIACV-UHFFFAOYSA-N
XLogP0.93
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 66651510
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19837465
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
[(1R)-6-(3-methoxyphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889892
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222
2-[5-(2-ethoxy-2-oxoethoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 86196999
[6-(1H-pyrazol-4-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 66651597
4-N-[[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]benzene-1,4-dicarboxamide
CID 99640978

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The IUPAC name of 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide (CID 14181183) is 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide is NCC1CCCc2cc(OCC(N)=O)ccc21.
What is the InChIKey of 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
The InChIKey is JVPKUGSXCAIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-7-10-3-1-2-9-6-11(4-5-12(9)10)17-8-13(15)16/h4-6,10H,1-3,7-8,14H2,(H2,15,16).
What are the key properties of 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide?
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide is sourced from PubChem (CID 14181183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).