N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 60875517

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1N)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-2-21(10-11-6-3-4-8-13(11)19)14-12(15(16,17)18)7-5-9-20-14/h3-9H,2,10,19H2,1H3
InChIKeyRFPDGKANDLXTGH-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.71
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine

N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 60875517) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID60875517
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccccc1N)c1ncccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3/c1-2-21(10-11-6-3-4-8-13(11)19)14-12(15(16,17)18)7-5-9-20-14/h3-9H,2,10,19H2,1H3
InChIKeyRFPDGKANDLXTGH-UHFFFAOYSA-N
XLogP3.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N-[(2-aminophenyl)methyl]-N-ethyl-3-methylpyrazin-2-amine
CID 83064268
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
3-[(N-ethylanilino)methyl]pyridin-2-amine
CID 62471121
N-[(2-aminophenyl)methyl]-3-methyl-N-propylpyrazin-2-amine
CID 83062625
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
2-[(2-aminophenyl)methyl-ethylamino]pyridine-4-carbonitrile
CID 60876115

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine (CID 60875517) is N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine is CCN(Cc1ccccc1N)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RFPDGKANDLXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-21(10-11-6-3-4-8-13(11)19)14-12(15(16,17)18)7-5-9-20-14/h3-9H,2,10,19H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine?
N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).