3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C19H20ClF3N2 — CID 66646157

IUPAC3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC(c2ccccc2)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H20ClF3N2/c20-16-11-15(19(21,22)23)12-24-18(16)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H,24,25)
InChIKeyZGGGHTZLOQABPL-UHFFFAOYSA-N
MW368.83 g/mol
LogP6.49
Rot. Bonds4

About 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 66646157) has the molecular formula C19H20ClF3N2 and a molecular weight of 368.83 g/mol. Its IUPAC name is 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID66646157
Molecular FormulaC19H20ClF3N2
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC Name3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NC(c2ccccc2)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C19H20ClF3N2/c20-16-11-15(19(21,22)23)12-24-18(16)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H,24,25)
InChIKeyZGGGHTZLOQABPL-UHFFFAOYSA-N
XLogP6.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.83
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 66646157) is 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NC(c2ccccc2)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZGGGHTZLOQABPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2/c20-16-11-15(19(21,22)23)12-24-18(16)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H,24,25).
What are the key properties of 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 368.83 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[cyclohexyl(phenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66646157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).