(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol

C21H29NO — CID 11630988

IUPAC(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCN(C)C[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyWEYRAFLEUJPWFS-NHCUHLMSSA-N
MW311.47 g/mol
LogP4.43
Rot. Bonds5

About (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol

(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol (PubChem CID 11630988) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
PubChem CID11630988
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol
SMILESCN(C)C[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCCC1
InChIInChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1
InChIKeyWEYRAFLEUJPWFS-NHCUHLMSSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol (CID 11630988) is (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol is CN(C)C[C@H](c1ccc2ccccc2c1)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol?
The InChIKey is WEYRAFLEUJPWFS-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H29NO/c1-22(2)15-20(21(23)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h6-8,11-14,17,20-21,23H,3-5,9-10,15H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol?
(1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-3-(dimethylamino)-2-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 11630988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).