(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol

C16H19NO — CID 71454813

IUPAC(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
SMILESCN(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(2)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,15-16,18H,1-2H3/t15-,16-/m0/s1
InChIKeyMLJRRPFUCGOHPB-HOTGVXAUSA-N
MW241.33 g/mol
LogP3.02
Rot. Bonds4

About (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol

(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol (PubChem CID 71454813) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
PubChem CID71454813
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol
SMILESCN(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H19NO/c1-17(2)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,15-16,18H,1-2H3/t15-,16-/m0/s1
InChIKeyMLJRRPFUCGOHPB-HOTGVXAUSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol (CID 71454813) is (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol is CN(C)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol?
The InChIKey is MLJRRPFUCGOHPB-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19NO/c1-17(2)15(13-9-5-3-6-10-13)16(18)14-11-7-4-8-12-14/h3-12,15-16,18H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol?
(1S,2S)-2-(dimethylamino)-1,2-diphenylethanol has a molecular weight of 241.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(dimethylamino)-1,2-diphenylethanol is sourced from PubChem (CID 71454813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).