N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine

C12H17F3N2 — CID 66330877

IUPACN,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
SMILESCNC(Cc1cc(C(F)(F)F)ccn1)C(C)C
InChIInChI=1S/C12H17F3N2/c1-8(2)11(16-3)7-10-6-9(4-5-17-10)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3
InChIKeyYBHOBIWTYJQTCL-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.89
Rot. Bonds4

About N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine

N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine (PubChem CID 66330877) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
PubChem CID66330877
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC NameN,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine
SMILESCNC(Cc1cc(C(F)(F)F)ccn1)C(C)C
InChIInChI=1S/C12H17F3N2/c1-8(2)11(16-3)7-10-6-9(4-5-17-10)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3
InChIKeyYBHOBIWTYJQTCL-UHFFFAOYSA-N
XLogP2.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
CID 63201754
N-ethyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 66328316
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
CID 124518140
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
N-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 66330279
N-[1-[4-(aminomethyl)phenyl]ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66331013
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
CID 139463100
N-(1-pyridin-4-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328268
ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 153329889
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine (CID 66330877) is N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine is CNC(Cc1cc(C(F)(F)F)ccn1)C(C)C.
What is the InChIKey of N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine?
The InChIKey is YBHOBIWTYJQTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8(2)11(16-3)7-10-6-9(4-5-17-10)12(13,14)15/h4-6,8,11,16H,7H2,1-3H3.
What are the key properties of N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine?
N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine has a molecular weight of 246.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 66330877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).