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

C14H14F3N3 — CID 62969577

IUPACN-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(CN)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-20(11-6-4-10(9-18)5-7-11)13-12(14(15,16)17)3-2-8-19-13/h2-8H,9,18H2,1H3
InChIKeyGNFRROIBDTWUFJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.33
Rot. Bonds3

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

N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 62969577) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID62969577
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1ccc(CN)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3/c1-20(11-6-4-10(9-18)5-7-11)13-12(14(15,16)17)3-2-8-19-13/h2-8H,9,18H2,1H3
InChIKeyGNFRROIBDTWUFJ-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (CID 62969577) is N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is CN(c1ccc(CN)cc1)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GNFRROIBDTWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-20(11-6-4-10(9-18)5-7-11)13-12(14(15,16)17)3-2-8-19-13/h2-8H,9,18H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62969577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).