(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride

C21H24ClNO — CID 45265245

IUPAC(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/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;/h3-14,20-21,23H,15H2,1-2H3;1H/t20-,21-;/m0./s1
InChIKeyKCLIFHPTVWHVGF-GUTACTQSSA-N
MW341.88 g/mol
LogP4.64
Rot. Bonds5

About (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride

(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride (PubChem CID 45265245) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
PubChem CID45265245
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/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;/h3-14,20-21,23H,15H2,1-2H3;1H/t20-,21-;/m0./s1
InChIKeyKCLIFHPTVWHVGF-GUTACTQSSA-N
XLogP4.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride (CID 45265245) is (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride is CN(C)C[C@@H](c1ccc2ccccc2c1)[C@@H](O)c1ccccc1.Cl.
What is the InChIKey of (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is KCLIFHPTVWHVGF-GUTACTQSSA-N. The full InChI is InChI=1S/C21H23NO.ClH/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;/h3-14,20-21,23H,15H2,1-2H3;1H/t20-,21-;/m0./s1.
What are the key properties of (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride?
(1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 45265245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).