2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol

C13H19NO2 — CID 117316238

IUPAC2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCNCC(O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C13H19NO2/c1-14-8-12(15)11-7-6-9-4-2-3-5-10(9)13(11)16/h6-7,12,14-16H,2-5,8H2,1H3
InChIKeyFCEXJUBNNHAZSU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.52
Rot. Bonds3

About 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol

2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 117316238) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID117316238
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESCNCC(O)c1ccc2c(c1O)CCCC2
InChIInChI=1S/C13H19NO2/c1-14-8-12(15)11-7-6-9-4-2-3-5-10(9)13(11)16/h6-7,12,14-16H,2-5,8H2,1H3
InChIKeyFCEXJUBNNHAZSU-UHFFFAOYSA-N
XLogP1.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117483744
1-[1-hydroxy-2-(methylamino)ethyl]-6,6-dimethyl-5,7,8,9-tetrahydrobenzo[7]annulen-4-ol
CID 163023254
1-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanol
CID 117456563
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-benzodioxol-4-ol
CID 117301123
5-but-3-en-2-yl-2,3-dihydro-1H-inden-4-ol
CID 175232409
2-chloro-6-[1-hydroxy-2-(methylamino)ethyl]phenol
CID 82608027
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
2-(methylamino)-1-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)ethanol
CID 84677134
1-bromo-3-[1-hydroxy-2-(methylamino)ethyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117499843
5-methyl-6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59613678
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 117297814

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 117316238) is 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol is CNCC(O)c1ccc2c(c1O)CCCC2.
What is the InChIKey of 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is FCEXJUBNNHAZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14-8-12(15)11-7-6-9-4-2-3-5-10(9)13(11)16/h6-7,12,14-16H,2-5,8H2,1H3.
What are the key properties of 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 117316238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).