2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol

C12H16F3NO2 — CID 79810535

IUPAC2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-11(7-17,8-18)16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,16-18H,6-8H2,1H3
InChIKeyIDYBKMLYCSUWAK-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.54
Rot. Bonds5

About 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol

2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol (PubChem CID 79810535) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
PubChem CID79810535
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESCC(CO)(CO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-11(7-17,8-18)16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,16-18H,6-8H2,1H3
InChIKeyIDYBKMLYCSUWAK-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
4-[[[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]methyl]benzoic acid
CID 122033290
2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 111467443
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 65315346
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol (CID 79810535) is 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol is CC(CO)(CO)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The InChIKey is IDYBKMLYCSUWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-11(7-17,8-18)16-6-9-2-4-10(5-3-9)12(13,14)15/h2-5,16-18H,6-8H2,1H3.
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol has a molecular weight of 263.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol is sourced from PubChem (CID 79810535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).