2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine

C15H21NO — CID 116869528

IUPAC2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
SMILESNCCC1(c2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H21NO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,16H2
InChIKeyNIXRXCUDHCFDSC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.18
Rot. Bonds3

About 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine

2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine (PubChem CID 116869528) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
PubChem CID116869528
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine
SMILESNCCC1(c2ccc3c(c2)CCCC3)COC1
InChIInChI=1S/C15H21NO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,16H2
InChIKeyNIXRXCUDHCFDSC-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane
CID 116871478
[3-(2,3-dihydro-1H-inden-5-yl)oxetan-3-yl]methanol
CID 116829694
5-[3-(2-aminoethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
CID 116869551
2-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanamine
CID 116869537
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]methanamine
CID 116829665
2-[3-(4-ethylsulfonylphenyl)oxetan-3-yl]ethanamine
CID 116869588
3-(aminomethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetane-3-carboxamide
CID 115185496
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
3-(2,3-dihydro-1H-inden-5-yl)oxetane-3-carbonitrile
CID 116873126
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine?
The IUPAC name of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine (CID 116869528) is 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine is NCCC1(c2ccc3c(c2)CCCC3)COC1.
What is the InChIKey of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine?
The InChIKey is NIXRXCUDHCFDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h5-6,9H,1-4,7-8,10-11,16H2.
What are the key properties of 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine?
2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)oxetan-3-yl]ethanamine is sourced from PubChem (CID 116869528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).