1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C14H12ClF3N2 — CID 105099537

IUPAC1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1ccccc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-19-13(10-4-2-3-5-11(10)15)12-7-6-9(8-20-12)14(16,17)18/h2-8,13,19H,1H3
InChIKeyHPZUTJAKEKQXGH-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.06
Rot. Bonds3

About 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine

1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105099537) has the molecular formula C14H12ClF3N2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105099537
Molecular FormulaC14H12ClF3N2
Molecular Weight300.71 g/mol
Exact Mass300.06
IUPAC Name1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cn1)c1ccccc1Cl
InChIInChI=1S/C14H12ClF3N2/c1-19-13(10-4-2-3-5-11(10)15)12-7-6-9(8-20-12)14(16,17)18/h2-8,13,19H,1H3
InChIKeyHPZUTJAKEKQXGH-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105119403
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
1-(4-fluorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105087924
1-(2-chlorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105099602
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105285707
1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754677
N-methyl-1-(5-methyl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105173821
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105178613
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105099537) is 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is CNC(c1ccc(C(F)(F)F)cn1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is HPZUTJAKEKQXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2/c1-19-13(10-4-2-3-5-11(10)15)12-7-6-9(8-20-12)14(16,17)18/h2-8,13,19H,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 300.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105099537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).