N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 60874752

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccc(N)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3/c1-2-21(10-11-3-6-13(19)7-4-11)14-8-5-12(9-20-14)15(16,17)18/h3-9H,2,10,19H2,1H3
InChIKeyMJOBZCNZFPKEOC-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.71
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine

N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60874752) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60874752
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(Cc1ccc(N)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3/c1-2-21(10-11-3-6-13(19)7-4-11)14-8-5-12(9-20-14)15(16,17)18/h3-9H,2,10,19H2,1H3
InChIKeyMJOBZCNZFPKEOC-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine (CID 60874752) is N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine is CCN(Cc1ccc(N)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MJOBZCNZFPKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-2-21(10-11-3-6-13(19)7-4-11)14-8-5-12(9-20-14)15(16,17)18/h3-9H,2,10,19H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine?
N-[(4-aminophenyl)methyl]-N-ethyl-5-(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-[(4-aminophenyl)methyl]-N-ethyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60874752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).