[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium

C21H22NO+ — CID 7023047

IUPAC[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO/c22-20(16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2/p+1/t20-/m0/s1
InChIKeyKBXBDYRXZGBOIH-FQEVSTJZSA-O
MW304.41 g/mol
LogP2.78
Rot. Bonds5

About [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium

[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium (PubChem CID 7023047) has the molecular formula C21H22NO+ and a molecular weight of 304.41 g/mol. Its IUPAC name is [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
PubChem CID7023047
Molecular FormulaC21H22NO+
Molecular Weight304.41 g/mol
Exact Mass304.17
IUPAC Name[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium
SMILES[NH3+][C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO/c22-20(16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2/p+1/t20-/m0/s1
InChIKeyKBXBDYRXZGBOIH-FQEVSTJZSA-O
XLogP2.78
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(dimethylamino)-1,1-diphenylpropan-1-ol;hydrochloride
CID 117067679
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
1,1,3-triphenyl-2-piperidin-1-ylpropan-1-ol
CID 23250666
(2S)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 101072833
(2R)-2-amino-1,1-bis(4-methylphenyl)-3-phenylpropan-1-ol
CID 22084869
1,6-diphenylhexane-2,5-diol
CID 15072586
(2S)-2-amino-N-[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]propanamide
CID 177480073
1-N,1-N'-bis[(2R)-1-hydroxy-1,1,3-triphenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923555
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
1,3-diphenylpropan-2-ylsilane
CID 123615026
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
(2S)-2-amino-N-[(1S)-2-hydroxy-1,2,2-triphenylethyl]-3-phenylpropanamide
CID 122228093

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium (CID 7023047) is [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium is [NH3+][C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium?
The InChIKey is KBXBDYRXZGBOIH-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H21NO/c22-20(16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16,22H2/p+1/t20-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium?
[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium has a molecular weight of 304.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]azanium is sourced from PubChem (CID 7023047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).