N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C15H16F3N3 — CID 66330423

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1cccc(CN)c1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H16F3N3/c1-21(10-12-4-2-3-11(7-12)9-19)14-8-13(5-6-20-14)15(16,17)18/h2-8H,9-10,19H2,1H3
InChIKeyFAYYYUQFNRJSRA-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.20
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66330423) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66330423
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCN(Cc1cccc(CN)c1)c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C15H16F3N3/c1-21(10-12-4-2-3-11(7-12)9-19)14-8-13(5-6-20-14)15(16,17)18/h2-8H,9-10,19H2,1H3
InChIKeyFAYYYUQFNRJSRA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 66330423) is N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CN(Cc1cccc(CN)c1)c1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FAYYYUQFNRJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-21(10-12-4-2-3-11(7-12)9-19)14-8-13(5-6-20-14)15(16,17)18/h2-8H,9-10,19H2,1H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66330423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).