N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine

C13H12F3N3O — CID 106485491

IUPACN-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
SMILESCNCc1ccccc1Oc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-8-9-4-2-3-5-10(9)20-12-18-7-6-11(19-12)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyAXKBOWKBWDXLQZ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine

N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine (PubChem CID 106485491) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
PubChem CID106485491
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine
SMILESCNCc1ccccc1Oc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-8-9-4-2-3-5-10(9)20-12-18-7-6-11(19-12)13(14,15)16/h2-7,17H,8H2,1H3
InChIKeyAXKBOWKBWDXLQZ-UHFFFAOYSA-N
XLogP3.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 172690256
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
1-[2-(5-bromo-4-methoxypyrimidin-2-yl)oxyphenyl]-N-methylmethanamine
CID 106998413
1-[2-(1,2,4-benzotriazin-3-yloxy)phenyl]-N-methylmethanamine
CID 106485346
N-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropan-1-amine
CID 64585867
1-[2-(2-ethylphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189072
1-[2-(5-fluoro-6-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 114045767
N-[(2-cyclobutyloxyphenyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133308848
2-(4,4-dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
CID 169385481
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine (CID 106485491) is N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine is CNCc1ccccc1Oc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
The InChIKey is AXKBOWKBWDXLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-17-8-9-4-2-3-5-10(9)20-12-18-7-6-11(19-12)13(14,15)16/h2-7,17H,8H2,1H3.
What are the key properties of N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine?
N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine has a molecular weight of 283.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methanamine is sourced from PubChem (CID 106485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).