(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine

C10H13F3N2O — CID 97179058

IUPAC(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
SMILESCC[C@@H](N)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)6-16-9-4-3-7(5-15-9)10(11,12)13/h3-5,8H,2,6,14H2,1H3/t8-/m1/s1
InChIKeyAPYDUEDMZBEOBF-MRVPVSSYSA-N
MW234.22 g/mol
LogP2.22
Rot. Bonds4

About (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine

(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine (PubChem CID 97179058) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine.

Molecular Properties

Compound Name(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
PubChem CID97179058
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine
SMILESCC[C@@H](N)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H13F3N2O/c1-2-8(14)6-16-9-4-3-7(5-15-9)10(11,12)13/h3-5,8H,2,6,14H2,1H3/t8-/m1/s1
InChIKeyAPYDUEDMZBEOBF-MRVPVSSYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
5-chloro-6-(difluoromethyl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-yl]pyrimidin-4-amine
CID 162514041
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
5-(trifluoromethyl)-2-[3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propoxy]propoxy]pyridine
CID 57449137
2-[2-methyl-3-(3-methylcyclobutyl)propoxy]-5-(trifluoromethyl)pyridine
CID 142536166
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
CID 894667
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
ethane;2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 143180631

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine?
The IUPAC name of (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine (CID 97179058) is (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine.
What is the SMILES notation for (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine?
The canonical SMILES for (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine is CC[C@@H](N)COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine?
The InChIKey is APYDUEDMZBEOBF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8(14)6-16-9-4-3-7(5-15-9)10(11,12)13/h3-5,8H,2,6,14H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine?
(2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine has a molecular weight of 234.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-amine is sourced from PubChem (CID 97179058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).