(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

C12H17NO — CID 89278768

IUPAC(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC[C@@]1(O)Cc2ccccc2C[C@H]1N
InChIInChI=1S/C12H17NO/c1-2-12(14)8-10-6-4-3-5-9(10)7-11(12)13/h3-6,11,14H,2,7-8,13H2,1H3/t11-,12-/m1/s1
InChIKeyWHOVICYKTDOGLG-VXGBXAGGSA-N
MW191.27 g/mol
LogP1.25
Rot. Bonds1

About (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 89278768) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID89278768
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC[C@@]1(O)Cc2ccccc2C[C@H]1N
InChIInChI=1S/C12H17NO/c1-2-12(14)8-10-6-4-3-5-9(10)7-11(12)13/h3-6,11,14H,2,7-8,13H2,1H3/t11-,12-/m1/s1
InChIKeyWHOVICYKTDOGLG-VXGBXAGGSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-2-phenyldecahydro-2-naphthalenol
CID 322837
(2S,3R,4aS,8aS)-2-phenyl-3-(propan-2-ylamino)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 90678172
(2S,3S,4aS,8aS)-2-phenyl-3-(propan-2-ylamino)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 90678173
(2R,3S,4aS,8aS)-2-phenyl-3-(propan-2-ylamino)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 90678174
(2R,3R,4aS,8aS)-2-phenyl-3-(propan-2-ylamino)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 90678175
rel-(1R,2S)-1-Amino-1,2,3,4-tetrahydro-2-naphthalenol
CID 11084208
2-(Aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 60796100
1-Amino-1,2,3,4-tetrahydronaphthalen-2-ol
CID 4460187
rac-(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol hydrochloride
CID 132308209
Amino-dihydroxy-tetraline
CID 53776174
(2R,3R)-3-amino-1,1-difluoro-3,4-dihydro-2H-naphthalen-2-ol
CID 18646609
(+/-)-(2R,3R)-3-Amino-1,1-difluoro-1,2,3,4-tetrahydro-2-naphthalenol, hydrochloride
CID 18646610

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (CID 89278768) is (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is CC[C@@]1(O)Cc2ccccc2C[C@H]1N.
What is the InChIKey of (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is WHOVICYKTDOGLG-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-12(14)8-10-6-4-3-5-9(10)7-11(12)13/h3-6,11,14H,2,7-8,13H2,1H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 191.27 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 89278768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).