2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

C7H12ClF3N2 — CID 18428545

IUPAC2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCC1CC(C(F)(F)F)CC(N)=N1.Cl
InChIInChI=1S/C7H11F3N2.ClH/c1-4-2-5(7(8,9)10)3-6(11)12-4;/h4-5H,2-3H2,1H3,(H2,11,12);1H
InChIKeyKXZOGPPMPNXJNU-UHFFFAOYSA-N
MW216.63 g/mol
LogP2.13
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride

2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (PubChem CID 18428545) has the molecular formula C7H12ClF3N2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
PubChem CID18428545
Molecular FormulaC7H12ClF3N2
Molecular Weight216.63 g/mol
Exact Mass216.06
IUPAC Name2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
SMILESCC1CC(C(F)(F)F)CC(N)=N1.Cl
InChIInChI=1S/C7H11F3N2.ClH/c1-4-2-5(7(8,9)10)3-6(11)12-4;/h4-5H,2-3H2,1H3,(H2,11,12);1H
InChIKeyKXZOGPPMPNXJNU-UHFFFAOYSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride (CID 18428545) is 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is CC1CC(C(F)(F)F)CC(N)=N1.Cl.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
The InChIKey is KXZOGPPMPNXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2.ClH/c1-4-2-5(7(8,9)10)3-6(11)12-4;/h4-5H,2-3H2,1H3,(H2,11,12);1H.
What are the key properties of 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride?
2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride has a molecular weight of 216.63 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride is sourced from PubChem (CID 18428545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).