[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine

C13H16F3N3 — CID 114489453

IUPAC[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F3N3/c1-9-2-3-10(8-17)12(18-9)19-6-4-11(5-7-19)13(14,15)16/h2-4H,5-8,17H2,1H3
InChIKeyAHICICWGDADIIO-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.55
Rot. Bonds2

About [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine

[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine (PubChem CID 114489453) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine
PubChem CID114489453
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(N2CC=C(C(F)(F)F)CC2)n1
InChIInChI=1S/C13H16F3N3/c1-9-2-3-10(8-17)12(18-9)19-6-4-11(5-7-19)13(14,15)16/h2-4H,5-8,17H2,1H3
InChIKeyAHICICWGDADIIO-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5,6-dimethyl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-4-yl]methanamine
CID 114489491
[4-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114900813
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methanamine
CID 114489683
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615
[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]methanamine
CID 114489498
3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-amine
CID 113338983
[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114459755
[3-fluoro-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114489481
[5-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanol
CID 114490322
[2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412685
[2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]phenyl]methanamine
CID 114491053
[6-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 55152369

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine (CID 114489453) is [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine is Cc1ccc(CN)c(N2CC=C(C(F)(F)F)CC2)n1.
What is the InChIKey of [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is AHICICWGDADIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-9-2-3-10(8-17)12(18-9)19-6-4-11(5-7-19)13(14,15)16/h2-4H,5-8,17H2,1H3.
What are the key properties of [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine?
[6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 271.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 114489453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).