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

C11H14F3NO3 — CID 171858532

IUPAC3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO3/c1-15-6-9(16)10(17)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9-10,15-17H,6H2,1H3
InChIKeyCFZUDAYTGQBKTR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.20
Rot. Bonds5

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

3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol (PubChem CID 171858532) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
PubChem CID171858532
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO3/c1-15-6-9(16)10(17)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9-10,15-17H,6H2,1H3
InChIKeyCFZUDAYTGQBKTR-UHFFFAOYSA-N
XLogP1.20
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propane-1,2-diol
CID 171858536
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858863
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
tert-butyl N-[3,4-dihydroxy-4-[4-(trifluoromethoxy)phenyl]butyl]carbamate
CID 171885432
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
1-[3-amino-4-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858594
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
2-[4-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]-2-methylpropanoic acid
CID 171858801

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol (CID 171858532) is 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol is CNCC(O)C(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol?
The InChIKey is CFZUDAYTGQBKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-15-6-9(16)10(17)7-2-4-8(5-3-7)18-11(12,13)14/h2-5,9-10,15-17H,6H2,1H3.
What are the key properties of 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol?
3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol has a molecular weight of 265.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propane-1,2-diol is sourced from PubChem (CID 171858532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).