[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

C14H12ClF3N2O — CID 58873631

IUPAC[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,7-8,19H2
InChIKeyKISSSDCDRZLKBL-UHFFFAOYSA-N
MW316.71 g/mol
LogP3.79
Rot. Bonds4

About [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873631) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873631
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,7-8,19H2
InChIKeyKISSSDCDRZLKBL-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873631) is [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is KISSSDCDRZLKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c15-11-4-1-9(2-5-11)8-21-13-10(7-19)3-6-12(20-13)14(16,17)18/h1-6H,7-8,19H2.
What are the key properties of [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 316.71 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).