(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide

C17H22BrNO — CID 90674654

IUPAC(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide
SMILESBr.CN(C)C[C@@H](O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO.BrH/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-;/m1./s1
InChIKeyPEKNPSWNGOYWHG-PKLMIRHRSA-N
MW336.27 g/mol
LogP3.32
Rot. Bonds5

About (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide

(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide (PubChem CID 90674654) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide.

Molecular Properties

Compound Name(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide
PubChem CID90674654
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide
SMILESBr.CN(C)C[C@@H](O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO.BrH/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-;/m1./s1
InChIKeyPEKNPSWNGOYWHG-PKLMIRHRSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide?
The IUPAC name of (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide (CID 90674654) is (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide.
What is the SMILES notation for (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide?
The canonical SMILES for (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide is Br.CN(C)C[C@@H](O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide?
The InChIKey is PEKNPSWNGOYWHG-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H21NO.BrH/c1-18(2)13-16(19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15;/h3-12,16-17,19H,13H2,1-2H3;1H/t16-;/m1./s1.
What are the key properties of (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide?
(2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide has a molecular weight of 336.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(dimethylamino)-1,1-diphenylpropan-2-ol;hydrobromide is sourced from PubChem (CID 90674654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).