1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine

C14H12ClF3N2O — CID 62287891

IUPAC1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-19-8-12-11(15)6-7-13(20-12)21-10-4-2-9(3-5-10)14(16,17)18/h2-7,19H,8H2,1H3
InChIKeyQVFGHIQMBGXNMX-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.27
Rot. Bonds4

About 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine (PubChem CID 62287891) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
PubChem CID62287891
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
SMILESCNCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H12ClF3N2O/c1-19-8-12-11(15)6-7-13(20-12)21-10-4-2-9(3-5-10)14(16,17)18/h2-7,19H,8H2,1H3
InChIKeyQVFGHIQMBGXNMX-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62323650
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298099
3-chloro-6-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 29080706
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
CID 62322004
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
1-[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]-N-methylmethanamine
CID 112589608
2-chloro-4-[4-(trifluoromethyl)phenoxy]pyrimidine;2,4-dichloropyrimidine
CID 162220727

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine (CID 62287891) is 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine is CNCc1nc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine?
The InChIKey is QVFGHIQMBGXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-19-8-12-11(15)6-7-13(20-12)21-10-4-2-9(3-5-10)14(16,17)18/h2-7,19H,8H2,1H3.
What are the key properties of 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine has a molecular weight of 316.71 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62287891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).