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

C15H23NO — CID 70608078

IUPAC(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(C)CCC[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyCTFHSKMIWUVFHT-HUUCEWRRSA-N
MW233.36 g/mol
LogP2.10
Rot. Bonds4

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

(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 70608078) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID70608078
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN(C)CCC[C@@H]1Cc2ccccc2C[C@H]1O
InChIInChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyCTFHSKMIWUVFHT-HUUCEWRRSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 70608078) is (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is CN(C)CCC[C@@H]1Cc2ccccc2C[C@H]1O.
What is the InChIKey of (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is CTFHSKMIWUVFHT-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23NO/c1-16(2)9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)17/h3-4,6-7,14-15,17H,5,8-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 70608078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).