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

C22H23NO — CID 10686982

IUPAC(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H23NO/c1-23(2)22(19-14-8-4-9-15-19,20-16-10-5-11-17-20)21(24)18-12-6-3-7-13-18/h3-17,21,24H,1-2H3/t21-/m0/s1
InChIKeyCMVPUEQUYRKWTE-NRFANRHFSA-N
MW317.43 g/mol
LogP4.23
Rot. Bonds5

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

(1S)-2-(dimethylamino)-1,2,2-triphenylethanol (PubChem CID 10686982) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (1S)-2-(dimethylamino)-1,2,2-triphenylethanol.

Molecular Properties

Compound Name(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
PubChem CID10686982
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(1S)-2-(dimethylamino)-1,2,2-triphenylethanol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C22H23NO/c1-23(2)22(19-14-8-4-9-15-19,20-16-10-5-11-17-20)21(24)18-12-6-3-7-13-18/h3-17,21,24H,1-2H3/t21-/m0/s1
InChIKeyCMVPUEQUYRKWTE-NRFANRHFSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-3-methyl-1,1-diphenylbutan-2-ol
CID 139632392
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
(1S,2R)-2,3-dimethyl-1-phenylbut-3-ene-1,2-diol
CID 101475003
3,3-dimethyl-4-phenylbutane-1,2,4-triol
CID 132576079
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
N,N,N',N',N",N"-hexamethyl-1-phenylmethanetriamine
CID 13042201
1-amino-2-phenylethane-1,1,2-triol
CID 69451369
3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193478
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(dimethylamino)-1,2,2-triphenylethanol?
The IUPAC name of (1S)-2-(dimethylamino)-1,2,2-triphenylethanol (CID 10686982) is (1S)-2-(dimethylamino)-1,2,2-triphenylethanol.
What is the SMILES notation for (1S)-2-(dimethylamino)-1,2,2-triphenylethanol?
The canonical SMILES for (1S)-2-(dimethylamino)-1,2,2-triphenylethanol is CN(C)C(c1ccccc1)(c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-(dimethylamino)-1,2,2-triphenylethanol?
The InChIKey is CMVPUEQUYRKWTE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO/c1-23(2)22(19-14-8-4-9-15-19,20-16-10-5-11-17-20)21(24)18-12-6-3-7-13-18/h3-17,21,24H,1-2H3/t21-/m0/s1.
What are the key properties of (1S)-2-(dimethylamino)-1,2,2-triphenylethanol?
(1S)-2-(dimethylamino)-1,2,2-triphenylethanol has a molecular weight of 317.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(dimethylamino)-1,2,2-triphenylethanol is sourced from PubChem (CID 10686982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).