[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine

C10H13F3N2O2 — CID 168955789

IUPAC[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
SMILESCOCC(Oc1cc(CN)ccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3
InChIKeyAZYQVKVZOSXVBY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.50
Rot. Bonds5

About [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine

[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine (PubChem CID 168955789) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
PubChem CID168955789
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
SMILESCOCC(Oc1cc(CN)ccn1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3
InChIKeyAZYQVKVZOSXVBY-UHFFFAOYSA-N
XLogP1.50
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy-4-pyridinyl]methyl]-3-[2-(trifluoromethyl)cyclopropyl]urea
CID 168955826
[2-(1-phenylethoxy)-4-pyridinyl]methanamine
CID 18071091
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
[2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 16795671
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxypyridine-2-carbonitrile
CID 166520206
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
CID 158826135
[2-[(4-fluorophenyl)methoxy]-4-pyridinyl]methanamine
CID 69248069
[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
CID 66689440
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148

Frequently Asked Questions

What is the IUPAC name of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The IUPAC name of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine (CID 168955789) is [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine is COCC(Oc1cc(CN)ccn1)C(F)(F)F.
What is the InChIKey of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
The InChIKey is AZYQVKVZOSXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-16-6-8(10(11,12)13)17-9-4-7(5-14)2-3-15-9/h2-4,8H,5-6,14H2,1H3.
What are the key properties of [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine?
[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine has a molecular weight of 250.22 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine is sourced from PubChem (CID 168955789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).