2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C15H16F3N3 — CID 102717290

IUPAC2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C15H16F3N3/c1-10(11-6-4-3-5-7-11)20-14-9-12(15(16,17)18)8-13(19-2)21-14/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyPPWRPYJGAGNKAK-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.32
Rot. Bonds4

About 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717290) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717290
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)c2ccccc2)n1
InChIInChI=1S/C15H16F3N3/c1-10(11-6-4-3-5-7-11)20-14-9-12(15(16,17)18)8-13(19-2)21-14/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyPPWRPYJGAGNKAK-UHFFFAOYSA-N
XLogP4.32
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-methyl-4-N-(1-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956022
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
4-N-(1-phenylethyl)pyrimidine-2,4,6-triamine
CID 80769538
N-methyl-6-(2-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720269
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 167897810
6-N-(2-methoxypropyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719521

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717290) is 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NC(C)c2ccccc2)n1.
What is the InChIKey of 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is PPWRPYJGAGNKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10(11-6-4-3-5-7-11)20-14-9-12(15(16,17)18)8-13(19-2)21-14/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 295.31 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).