(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol

C24H27NO — CID 135013050

IUPAC(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol
SMILESCN(C)[C@@](C)(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-23(25(2)3,19-20-13-7-4-8-14-20)24(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,26H,19H2,1-3H3/t23-/m0/s1
InChIKeyQGEQFBBJXJROMO-QHCPKHFHSA-N
MW345.49 g/mol
LogP4.49
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol

(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol (PubChem CID 135013050) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol
PubChem CID135013050
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol
SMILESCN(C)[C@@](C)(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NO/c1-23(25(2)3,19-20-13-7-4-8-14-20)24(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,26H,19H2,1-3H3/t23-/m0/s1
InChIKeyQGEQFBBJXJROMO-QHCPKHFHSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
2-benzyl-1,1,3-triphenyl-2-sulfanylpropan-1-ol
CID 154130400
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
(3R)-3-(dimethylamino)-2-methyl-3-phenylbutan-2-ol
CID 102003642
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
2-benzyl-2-(dimethylamino)-3-phenylpropanoic acid
CID 43803058
3-hydroxy-N,N,3-trimethyl-4-phenylbutanamide
CID 102147663
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol?
The IUPAC name of (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol (CID 135013050) is (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol?
The canonical SMILES for (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol is CN(C)[C@@](C)(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol?
The InChIKey is QGEQFBBJXJROMO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H27NO/c1-23(25(2)3,19-20-13-7-4-8-14-20)24(26,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,26H,19H2,1-3H3/t23-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol?
(2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-methyl-1,1,3-triphenylpropan-1-ol is sourced from PubChem (CID 135013050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).