2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol

C15H23NO2 — CID 50973028

IUPAC2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO2/c1-11(16-15(9-17)10-18)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15-18H,2-5,9-10H2,1H3
InChIKeyUHHMFEHNOVKPEX-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.57
Rot. Bonds5

About 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol (PubChem CID 50973028) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
PubChem CID50973028
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
SMILESCC(NC(CO)CO)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H23NO2/c1-11(16-15(9-17)10-18)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15-18H,2-5,9-10H2,1H3
InChIKeyUHHMFEHNOVKPEX-UHFFFAOYSA-N
XLogP1.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 43207232
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentan-2-amine
CID 43108616
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
1-cyclopentyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ethanamine
CID 63444402
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol (CID 50973028) is 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol is CC(NC(CO)CO)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol?
The InChIKey is UHHMFEHNOVKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16-15(9-17)10-18)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15-18H,2-5,9-10H2,1H3.
What are the key properties of 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol?
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol has a molecular weight of 249.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 50973028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).