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

C16H25NO — CID 81338020

IUPAC3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-12(9-10-18)17-13(2)15-8-7-14-5-3-4-6-16(14)11-15/h7-8,11-13,17-18H,3-6,9-10H2,1-2H3
InChIKeyVTJCEDSELZVOFG-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.99
Rot. Bonds5

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

3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol (PubChem CID 81338020) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
PubChem CID81338020
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
SMILESCC(CCO)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H25NO/c1-12(9-10-18)17-13(2)15-8-7-14-5-3-4-6-16(14)11-15/h7-8,11-13,17-18H,3-6,9-10H2,1-2H3
InChIKeyVTJCEDSELZVOFG-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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]propane-1,3-diol
CID 50973028
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
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
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
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol (CID 81338020) is 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol is CC(CCO)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
The InChIKey is VTJCEDSELZVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(9-10-18)17-13(2)15-8-7-14-5-3-4-6-16(14)11-15/h7-8,11-13,17-18H,3-6,9-10H2,1-2H3.
What are the key properties of 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol?
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 81338020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).