4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

C10H13F3N2O — CID 66329465

IUPAC4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCC(O)CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N2O/c1-7(16)2-4-14-9-6-8(3-5-15-9)10(11,12)13/h3,5-7,16H,2,4H2,1H3,(H,14,15)
InChIKeyJYWKQWNHMZTOPW-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.28
Rot. Bonds4

About 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (PubChem CID 66329465) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
PubChem CID66329465
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCC(O)CCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H13F3N2O/c1-7(16)2-4-14-9-6-8(3-5-15-9)10(11,12)13/h3,5-7,16H,2,4H2,1H3,(H,14,15)
InChIKeyJYWKQWNHMZTOPW-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115715774
4-[(4-fluoro-2-pyridinyl)amino]butan-2-ol
CID 130694376
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (CID 66329465) is 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is CC(O)CCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is JYWKQWNHMZTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(16)2-4-14-9-6-8(3-5-15-9)10(11,12)13/h3,5-7,16H,2,4H2,1H3,(H,14,15).
What are the key properties of 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 66329465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).