(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol

C16H19NO2 — CID 171118071

IUPAC(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol
SMILESCN[C@@H](CO)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17-15(12-18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,17-19H,12H2,1H3/t15-/m0/s1
InChIKeyKCBHFBNDKBEBRM-HNNXBMFYSA-N
MW257.33 g/mol
LogP1.50
Rot. Bonds5

About (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol

(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol (PubChem CID 171118071) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol.

Molecular Properties

Compound Name(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol
PubChem CID171118071
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol
SMILESCN[C@@H](CO)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17-15(12-18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,17-19H,12H2,1H3/t15-/m0/s1
InChIKeyKCBHFBNDKBEBRM-HNNXBMFYSA-N
XLogP1.50
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol?
The IUPAC name of (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol (CID 171118071) is (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol.
What is the SMILES notation for (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol?
The canonical SMILES for (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol is CN[C@@H](CO)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol?
The InChIKey is KCBHFBNDKBEBRM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17-15(12-18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,17-19H,12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol?
(2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol has a molecular weight of 257.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-1,1-diphenylpropane-1,3-diol is sourced from PubChem (CID 171118071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).