N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine

C7H9F3N2 — CID 142135167

IUPACN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
SMILESCNC1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2/c1-11-6-3-2-5(4-12-6)7(8,9)10/h2-3,11-12H,4H2,1H3
InChIKeyLBSJKJVVBGBGJX-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.14
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine

N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine (PubChem CID 142135167) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
PubChem CID142135167
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
SMILESCNC1=CC=C(C(F)(F)F)CN1
InChIInChI=1S/C7H9F3N2/c1-11-6-3-2-5(4-12-6)7(8,9)10/h2-3,11-12H,4H2,1H3
InChIKeyLBSJKJVVBGBGJX-UHFFFAOYSA-N
XLogP1.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoromethyl-1,2-dihydro-pyridin-2-ylamine
CID 59443902
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine
CID 137468108
6-N-propan-2-yl-3-(trifluoromethyl)-1,2-dihydropyridine-5,6-diamine
CID 137468167
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine;molecular hydrogen
CID 142135166
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 145415463
N'-[(2E)-4-fluoro-2-methylpenta-2,4-dienyl]-N-methylmethanediamine
CID 156189663
N-ethyl-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 173058106
3,5-difluoro-N,1-dimethyl-2H-pyridin-6-amine
CID 144864764
6-Chloro-3-(trifluoromethyl)-1,2-dihydropyridin-2-amine
CID 162607041
N-ethyl-3-methyl-1,2-dihydropyridin-6-amine
CID 89313734
3-Methyl-1,2-dihydropyridin-6-amine
CID 117900401
N,1,3-trimethyl-2H-pyridin-6-amine
CID 139310461

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine (CID 142135167) is N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine is CNC1=CC=C(C(F)(F)F)CN1.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
The InChIKey is LBSJKJVVBGBGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-11-6-3-2-5(4-12-6)7(8,9)10/h2-3,11-12H,4H2,1H3.
What are the key properties of N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine?
N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine has a molecular weight of 178.16 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 142135167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).