3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline

C15H16F3N3 — CID 102709954

IUPAC3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-21(2)11-5-3-4-10(8-11)14(19)12-9-20-7-6-13(12)15(16,17)18/h3-9,14H,19H2,1-2H3
InChIKeyJZFWXKMJEDVZKX-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.21
Rot. Bonds3

About 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline

3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline (PubChem CID 102709954) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
PubChem CID102709954
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H16F3N3/c1-21(2)11-5-3-4-10(8-11)14(19)12-9-20-7-6-13(12)15(16,17)18/h3-9,14H,19H2,1-2H3
InChIKeyJZFWXKMJEDVZKX-UHFFFAOYSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline 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

(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707278
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
[(3-iodophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710482

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline (CID 102709954) is 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline?
The InChIKey is JZFWXKMJEDVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-21(2)11-5-3-4-10(8-11)14(19)12-9-20-7-6-13(12)15(16,17)18/h3-9,14H,19H2,1-2H3.
What are the key properties of 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline?
3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline has a molecular weight of 295.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[4-(trifluoromethyl)-3-pyridinyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 102709954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).