6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NO — CID 76919283

IUPAC6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC=CCOc1ccc2c(c1)CCCC2NCC
InChIInChI=1S/C16H23NO/c1-3-5-11-18-14-9-10-15-13(12-14)7-6-8-16(15)17-4-2/h3,5,9-10,12,16-17H,4,6-8,11H2,1-2H3
InChIKeyOTXDEDOURYQVGU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.63
Rot. Bonds5

About 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 76919283) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID76919283
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC=CCOc1ccc2c(c1)CCCC2NCC
InChIInChI=1S/C16H23NO/c1-3-5-11-18-14-9-10-15-13(12-14)7-6-8-16(15)17-4-2/h3,5,9-10,12,16-17H,4,6-8,11H2,1-2H3
InChIKeyOTXDEDOURYQVGU-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499948
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114013297
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586

Frequently Asked Questions

What is the IUPAC name of 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 76919283) is 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC=CCOc1ccc2c(c1)CCCC2NCC.
What is the InChIKey of 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OTXDEDOURYQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-11-18-14-9-10-15-13(12-14)7-6-8-16(15)17-4-2/h3,5,9-10,12,16-17H,4,6-8,11H2,1-2H3.
What are the key properties of 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 76919283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).