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

C13H18F3NO2 — CID 103933703

IUPAC2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-2-12(8-18,9-19)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17-19H,2,7-9H2,1H3
InChIKeyRTDWCIYOLNWWLH-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.93
Rot. Bonds6

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

2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol (PubChem CID 103933703) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
PubChem CID103933703
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-2-12(8-18,9-19)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17-19H,2,7-9H2,1H3
InChIKeyRTDWCIYOLNWWLH-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenyl]acetate
CID 107865394
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
CID 107865413
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 113352552
2-ethyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propane-1,3-diol
CID 107864893
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
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2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
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N-ethoxy-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115279415
2-[(2,3-dichlorophenyl)methylamino]-2-ethylbutan-1-ol
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CID 65039204

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol (CID 103933703) is 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
The InChIKey is RTDWCIYOLNWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-2-12(8-18,9-19)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,17-19H,2,7-9H2,1H3.
What are the key properties of 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol?
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol has a molecular weight of 277.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol is sourced from PubChem (CID 103933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).