(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride

C17H22ClNO — CID 45262334

IUPAC(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-,17-;/m0./s1
InChIKeyWSDLKTZBSNTKJA-QJHJCNPRSA-N
MW291.82 g/mol
LogP3.49
Rot. Bonds5

About (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride

(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride (PubChem CID 45262334) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride
PubChem CID45262334
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride
SMILESCN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-,17-;/m0./s1
InChIKeyWSDLKTZBSNTKJA-QJHJCNPRSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.49
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)-1,2-diphenylpropan-1-ol;hydrochloride?
The IUPAC name of (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride (CID 45262334) is (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride is CN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.Cl.
What is the InChIKey of (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride?
The InChIKey is WSDLKTZBSNTKJA-QJHJCNPRSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-,17-;/m0./s1.
What are the key properties of (1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride?
(1R,2R)-3-(dimethylamino)-1,2-diphenylpropan-1-ol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.49, 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)-1,2-diphenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 45262334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).