(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C13H19NO — CID 70291111

IUPAC(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCN(C)C[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H19NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m0/s1
InChIKeyDPGLJDFBUJEPKW-WCQYABFASA-N
MW205.30 g/mol
LogP1.84
Rot. Bonds2

About (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 70291111) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID70291111
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCN(C)C[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H19NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m0/s1
InChIKeyDPGLJDFBUJEPKW-WCQYABFASA-N
XLogP1.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 101152494
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
2-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106729008
(3S,4R)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-thiochromen-4-ol
CID 58752433
(3R,4S)-3-[(dimethylamino)methyl]-3,4-dihydro-1H-isochromen-4-ol
CID 58752436
2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62339034
2-[(1-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79424384
6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79725685

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 70291111) is (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol is CN(C)C[C@@H]1CCc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DPGLJDFBUJEPKW-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11,13,15H,7-9H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 70291111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).