N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine

C14H13F3N2O2 — CID 105075970

IUPACN-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
SMILESCNCc1ccncc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-18-8-10-6-7-19-9-13(10)20-11-2-4-12(5-3-11)21-14(15,16)17/h2-7,9,18H,8H2,1H3
InChIKeySGOHLGQCBISHDD-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.49
Rot. Bonds5

About N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine

N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine (PubChem CID 105075970) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
PubChem CID105075970
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
SMILESCNCc1ccncc1Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2O2/c1-18-8-10-6-7-19-9-13(10)20-11-2-4-12(5-3-11)21-14(15,16)17/h2-7,9,18H,8H2,1H3
InChIKeySGOHLGQCBISHDD-UHFFFAOYSA-N
XLogP3.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
1-[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]-N-methylmethanamine
CID 102747358
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
2-methyl-N-[[3-(4-methylsulfanylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075661
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine (CID 105075970) is N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine is CNCc1ccncc1Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
The InChIKey is SGOHLGQCBISHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-18-8-10-6-7-19-9-13(10)20-11-2-4-12(5-3-11)21-14(15,16)17/h2-7,9,18H,8H2,1H3.
What are the key properties of N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine?
N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine has a molecular weight of 298.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 105075970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).