[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

C11H15NO — CID 96762744

IUPAC[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC[C@@H]1CO
InChIInChI=1S/C11H15NO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,9,11,13H,5-7,12H2/t9-,11+/m1/s1
InChIKeyKERFCYXXJGLLMP-KOLCDFICSA-N
MW177.25 g/mol
LogP1.24
Rot. Bonds1

About [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol

[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (PubChem CID 96762744) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
PubChem CID96762744
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC[C@@H]1CO
InChIInChI=1S/C11H15NO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,9,11,13H,5-7,12H2/t9-,11+/m1/s1
InChIKeyKERFCYXXJGLLMP-KOLCDFICSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228619
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79559488
2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104648344
2-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 126460273
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55185776

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The IUPAC name of [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol (CID 96762744) is [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol.
What is the SMILES notation for [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The canonical SMILES for [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is N[C@@H]1c2ccccc2CC[C@@H]1CO.
What is the InChIKey of [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
The InChIKey is KERFCYXXJGLLMP-KOLCDFICSA-N. The full InChI is InChI=1S/C11H15NO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-4,9,11,13H,5-7,12H2/t9-,11+/m1/s1.
What are the key properties of [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol?
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol is sourced from PubChem (CID 96762744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).