1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

C11H15F3N2O2 — CID 103875643

IUPAC1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCOCC(O)CCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-18-7-8(17)5-6-15-10-4-2-3-9(16-10)11(12,13)14/h2-4,8,17H,5-7H2,1H3,(H,15,16)
InChIKeyMNIQSHQTEUGDFD-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.91
Rot. Bonds6

About 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol

1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (PubChem CID 103875643) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
PubChem CID103875643
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
SMILESCOCC(O)CCNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N2O2/c1-18-7-8(17)5-6-15-10-4-2-3-9(16-10)11(12,13)14/h2-4,8,17H,5-7H2,1H3,(H,15,16)
InChIKeyMNIQSHQTEUGDFD-UHFFFAOYSA-N
XLogP1.91
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248639
N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 62735148
N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 106181325
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
1-methoxy-4-[(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 103875647
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
4-[4-bromo-2-(trifluoromethyl)anilino]-1-methoxybutan-2-ol
CID 103875738
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol (CID 103875643) is 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is COCC(O)CCNc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is MNIQSHQTEUGDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-18-7-8(17)5-6-15-10-4-2-3-9(16-10)11(12,13)14/h2-4,8,17H,5-7H2,1H3,(H,15,16).
What are the key properties of 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol?
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 103875643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).